Day: April 2, 2022

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Chromatography called Preparation of standard mixtures of iodoalkanes by irradiation of iodine solutions in alkanes, Author is Castello, Gianrico; D’Amato, Giuseppina, which mentions a compound: 616-14-8, SMILESS is CCC(CI)C, Molecular C5H11I, Formula: C5H11I.

Mixtures of iodine with pentane, hexane, 3-methylpentane, 2,2-dimethylbutane, 2,3-dimethylbutane, heptane, 2,2-dimethylpentane, 2,4-dimethylpentane, 3,3-dimethylpentane, octane, 2,2,4-trimethylpentane, and 2,2,5-trimethylhexane were subjected to γ-irradiation and the gas chromatog. retention indexes of the resulting iodoalkanes determined

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

SDS of cas: 616-14-8. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Phenotype identification of tumor-associated macrophages in mice bearing lung carcinoma. Author is Zhang, Bi-cheng; Yang, Bo; Liu, Jian; Guan, Sha; Rao, Zhi-guo; Gao, Jian-fei.

Objective To identify the phenotype of tumor-associated macrophages (TAM) in mice bearing Lewis lung carcinoma (LLC). Methods LLC cells were planted in the dorsal necks of C57BL/6 mice s.c. The levels of Th1/Th2 cytokines in the transplantation tumors were tested by ELISA. Co-expression of CD68/macrophage mannose receptor (MMR) and CD68/inducible nitric oxide synthase (iNOS) of TAM was detected by double-labeled immunofluorescence staining. Phagocytic capacity of TAM was assessed by yeast phagocytosis assay. Results In the mice LLC transplantation tumors, Th2 cytokine shift was found in the microenvironment. The concentrations of IFN-γ and IL-12 were (2.19 ±> 0.34) ng/mL and (1635.92 ±> 754.86) ng/mL in transplantation tumors, lower than (5.49 ±> 1.04) ng/mL and (6161.48 ±>498.49) ng/mL in normal lung tissues (P <0.05). IL-4 and IL-10 were (29.31 ±> 14.47) ng/mL and (21.54 ±> 10.72) ng/mL in transplantation tumors, higher than (16.43 ±>6.31) ng/mL and (10.71 ±>2.02) ng/mL in normal lung tissues (P <0.05). The percentage of CD68/MMR(+) TAM in all the TAM was 69.7%-83.2%, while CD68/iNOS (+) was 16.8%-30.3%. The phagocytic rate and index of the transplantation tumors were (5.42 ±> 1.74)% and 0.08 ±>0.02, much lower than (23.63 ±> 5.81)% and 0.39 ±>0.14 in normal spleen tissues with statistical significance (P <0.01). Conclusion TAM in mice bearing LLC might be polarized to the alternative activation phenotype. There is still a lot of research devoted to this compound(SMILES：CCC(CI)C)SDS of cas: 616-14-8, and with the development of science, more effects of this compound(616-14-8) can be discovered.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Suwinski, Jerzy; Salwinska, Ewa; Watras, Jan; Widel, Maria published the article 《Nitroimidazoles. VI. Partition coefficients and tautomerism of simple nitroimidazoles》. Keywords: nitroimidazole derivative partition coefficient tautomerism.They researched the compound: 1-Methyl-4-nitro-1H-imidazol-5-amine( cas:4531-54-8 ).Computed Properties of C4H6N4O2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:4531-54-8) here.

Octanol-water partition coefficients (P) were determined for 42 simple nitroimidazoles with Me, Cl, Br, MeO, NH2, and NO2 substituents. Correlation between log P and the substituent constants πX of Hansch and fX of Nys-Rekker was derived. For the N-methylated compounds, the average value of πN-CH3 was calculated to be -0.30. Significance of log P measurement in estimating the tautomeric equilibrium in 4(5)-nitroimidazoles is discussed in detail.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Reference of 1-Iodo-2-methylbutane. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Two Distinct Thermal Stabilities of DNA and Enzymatic Activities of DNase I in a Multistep Assembly with Carbazole Ligands: Different Binding Characteristics for Duplex and Quadruplex DNA. Author is Inukai, Norie; Kawai, Tsuyoshi; Yuasa, Junpei.

A partially hydrophobic carbazole ligand ((Im+)2Cz: 2,2′-(9-ethyl-9 H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(1,3-dimethyl-1 H-imidazol-3-ium)) adopts two different binding states (binding states I and II) in its interactions with calf-thymus (ct-) DNA. Two distinct binding states were identified by biphasic UV/Vis and CD spectral changes during the titration of DNA into the carbazole ligand. At low concentrations of ct-DNA, (Im+)2Cz binds to nearly every part of ct-DNA (binding state I). By contrast, an increased concentration of ct-DNA results in a switch in the DNA-binding state, so that the ligands are bound per five DNA base pairs. Similarly, a monocationic carbazole ligand (Im+Cz: 2-((6-bromo-9-ethyl-9 H-carbazol-3-yl)ethynyl)-1,3-dimethyl-1 H-imidazol-3-ium) also shows biphasic UV/Vis spectral changes during the titration of ct-DNA into Im+Cz, which suggests two different binding states of the Im+Cz ligand with ct-DNA. The stepwise equilibrium of the ligand-DNA-complex formation is capable of switching the thermal stability of ct-DNA, as well as the enzymic activity of DNase (DNase I). In binding state I, the (Im+)2Cz ligands interact with nearly every base pair in ct-DNA and stabilize the double-helix structure, which results in a larger increase in the melting temperature of the ct-DNA than that observed with binding state II. On the other hand, the (Im+)2Cz ligand significantly reduces the enzymic activity of DNase I in binding state I, although the enzymic activity is recovered once the binding state of the ligand-DNA complex is changed to binding state II. The (Im+)2Cz ligand was also employed as a binder for G-quadruplex DNA. In contrast to the stepwise complex formation between (Im+)2Cz and ct-DNA, (Im+)2Cz shows a monotonous UV/Vis spectral response during the titration of G-quadruplex DNA into (Im+)2Cz, which suggests a single binding state for (Im+)2Cz with G-quadruplex DNA.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Berthold, Dino; Breit, Bernhard researched the compound: 1-Iodo-2-methylbutane( cas:616-14-8 ).Computed Properties of C5H11I.They published the article 《Total Synthesis of (-)-Cylindrocyclophane F: A Yardstick for Probing New Catalytic C-C Bond-Forming Methodologies》 about this compound( cas:616-14-8 ) in Chemistry – A European Journal. Keywords: cylindrocyclophane F synthesis; C-allylation; Negishi coupling; cylindrocyclophane F; lactic acid; metathesis; total synthesis. We’ll tell you more about this compound (cas:616-14-8).

A short and efficient total synthesis of the C2-sym. (-)-cylindrocyclophane F is presented, using a cross olefin metathesis dimerization strategy for construction of the [7,7]-paracyclophane macrocycle. The synthesis of the dimerization building block includes a Pd-catalyzed sp3-sp2 Negishi cross coupling of a sterically hindered Zn-reagent with an aromatic triflate, an enantiospecific Zn-catalyzed sp3-sp3 cross coupling of an α-hydroxy ester triflate with a Grignard reagent and the application of an enantioselective Rh-catalyzed C-allylation of an electron rich arene.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The infrared spectrum of the formate ion》. Authors are Schutte, C. J. H.; Buijs, K..The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Related Products of 616-14-8. Through the article, more information about this compound (cas:616-14-8) is conveyed.

The infrared spectra of anhydrous Ca(HCO2)2, Sr(HCO2)2, Ba(HCO2)2, and Pb(HCO2)2 show clearly the doubling of the fundamental bands of the formate ion owing to the existence of non-equivalent ions in the lattice. A new tetragonal phase of Ca(HCO2)2 precipitate when an organic solvent is added to an aqueous solution of Ca(HCO2)2. The new β phase belongs to space group D44-P412121, α = 9.46 A., c = 6.77 A., with 4 mols. per unit cell. The absorption bands for the β phase are single, in accordance with the crystallographic symmetry.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Secondary to normal alkyl group rearrangements in octahedral iridium(III) complexes. 1. Monoalkyl derivatives, published in 1986, which mentions a compound: 616-14-8, mainly applied to alkyl group isomerization iridium complex; solvent effect alkyl isomerization; substituent effect alkyl isomerization; steric hindrance alkyl isomerization, Recommanded Product: 616-14-8.

sec-Alkyliridium(III) complexes IrYIR(CO)L2 (R = sec-alkyl; Y = Cl, I; L = PMe3, PMe2Ph), formed by oxidative addition of sec-alkyl iodides to IrY(CO)L2, rearrange cleanly by a first-order process to the n-alkyl isomers on dissolution in CH2Cl2 containing protic solvents. The order of efficacy of these solvents in promoting alkyl group rearrangement is CF3CO2H >> CH3OH >> C2H5OH > CH3CO2H ∼ PrOH > (CH3)2CHOH, while in the more strongly coordinating medium of THF the order is H2O >> CH3OH. These orders correlate with the anion-solvating ability of the solvents and, together with the observed retardation by added iodide ion, suggest that the rate-determining step in the rearrangement is dissociation of iodide ion trans to the sec-alkyl group. Rapid, reversible β-hydride elimination in the resulting cation and stereospecific return of iodide ion trans to the resulting n-alkyl group complete the process. The rearrangement is promoted by increasing bulk, both of the alkyl group, up to a certain limit, and of the tertiary phosphine (PMe2Ph > PMe3). Treatment of IrClI{CH(CH3)2}(CO)(PMe2Ph)2 with AgBF4 in MeCN induces immediate alkyl group rearrangement to give the n-propyliridium(III) salt [IrClPr(CO)(NCMe)(PMe2Ph)2]BF4. Studies of analogous CD2CH3 compounds suggest that they, and presumably other n-alkyliridium(III) complexes, undergo reversible β-hydride elimination more slowly than the sec-alkyl complexes. The D labels in the isobutyl-d2 complex IrClI{CD2CH(CH3)2}(CO)(PMe3)2 scramble over all the alkyl C atoms when the compound is heated in CD2Cl2/CD3OD, indicating that a tert-butyliridium(III) species is accessible. Surprisingly, the complexes IrClI{CH2CH(CH3)CH2CH3}(CO)(PMe3)2 and IrClI{CH2CH2CH(CH3)2}(CO)(PMe3)2 do not interconvert under the same conditions, implying that a tert-pentylirdium(III) species cannot be formed. The results are compared with alkyl group rearrangements that occur in other transition-metal systems, especially those promoted by dissociation of Ph3P in (η-C5H5)FeR(CO)(PPh3).

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Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Cerebrospinal fluid lymphocytes in experimental allergic encephalomyelitis.》. Authors are Wilkerson, L D; Lisak, R P; Zweiman, B.The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Safety of 1-Iodo-2-methylbutane. Through the article, more information about this compound (cas:616-14-8) is conveyed.

We report characteristics of the cerebrospinal fluid (CSF) pleocytosis (616+/-148 cells/microliter) that occurred in guinea-pigs with definite clinical experimental allergic encephalomyelitis developing 12 to 16 days after sensitization with homologous myelin basic protein. This pleocytosis was not present in the cerebrospinal fluid of a group of animals studied when still healthy, 9 or 10 days after similar sensitization. Eighty-nine per cent of cells in the CSF pleocytosis were small lymphocytes, 8% were larger lymphocytes and the remainder mostly monocytes. Of the lymphocytes, most were E-rosetting or null cells. B-cell markers were uncommon. The cellular patterns in this CSF pleocytosis appear to be similar to those seen in some delayed hypersensitivity responses.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Asymmetric reductions. VI. The action of the Grignard reagent from (+)-1-chloro-2-methylbutane on a series of alkyl tert-butyl ketones, published in 1959, which mentions a compound: 616-14-8, mainly applied to , Electric Literature of C5H11I.

cf. C.A. 51, 1828h. Title reactions were carried out with six ketones, and the % asymmetric reduction, i, was determined by comparing the observed rotation of each resulting carbinol with the maximum rotation of pure isomers obtained by resolution. The absolute configurations of the prepared carbinols were determined and R, [α]25D (neat), and i were as follows: Me, 0.63°, 13.4; iso-Pr, -0.38°, 4.6; Et, -2.94°, 10.7; Pr, -3.87°, 11.3; Bu, -3.78°, 11.0; and iso-Bu, -2.56°, 5.9. The results agreed with a reaction mechanism of Grignard reduction involving an intermediate cyclic six-membered transition state in which stereospecificity was controlled by steric interaction of the alkyl and tert-butyl groups of the ketones and the Me and Et groups of the Grignard reagent. The alkyl tert-butyl ketones were prepared by coupling the appropriate acid chloride, RCOCl, with the Grignard reagent from freshly distilled tert-BuCl in the presence of Cu2Cl2 to yield the following products (R, % yield based on Grignard reagent, b.p., and n25D given): Me, 33, 105.2°, 1.3974; Et, 89, 125.0-5.8°, 1.4049-51; Pr, 63, 145.0-5.8°, 1.4109-11; iso-Pr, 36, 135.2-6.7°, 1.4049-68; Bu, 69, 167.0-9.0°, 1.4149-59; and iso-Bu, 40, 155.5-7.0°, 1.4135-42. Only the Me and Pr tert-butylcarbinols were resolved in earlier work, and the resolution of the remaining four, by classical methods (Ingersoll, C.A. 38, 29257), is reported here. Racemic tert-BuCHEtOH (I), b. 136°, n20D 1.4235, was converted to the dl-acid phthalate, m. 88.0-8.3°. By procedures involving brucine and recrystallizations the (-)-acid phthalate (II) was obtained, m. 91.0-1.5°, [α]27D -3.75° (c 20.5, CHCl3), the rotation in CHCl3 being concentration dependent, 2.2° (c 1.5). (+)-I was regenerated from II, n20D 1.4230, α23D 27.40° (neat, l 1); acetate from (+)-I b38 74°, α24D 12.16° (neat, l 0.5), d23 0.856; benzoate from (-)-I b0.8 20°, α25D -3.19° (neat, l 0.5), n20D 1.4912, d23 0.957. Racemic tert-BuCH(OH)Pr-iso (III), b. 150.9-1.1°, n20D 1.4290-9, gave the dl-acid phthalate, m. 114.5-16.0°. The brucine salt was prepared and a less soluble form obtained, m. 173-5°, [α]28D -23°, which on hydrolysis gave an acid phthalate (IV), m. 100.5-3.0°, [α]25D 0.00°, which was hydrolyzed to (-)-III, α28D -7.22° (neat, l 1). Hydrolysis of the more soluble form of the brucine salt, [α]28D -16.1°, gave an acid phthalate (V), [α]28D 0.00°, which on hydrolysis gave (+)-III, α28D 7.22° (neat, l 1). The strychnine salt of IV was also prepared, [α]28D -25.7°, the acid phthalate regenerated, and converted to (-)-III, α28D -8.94° (neat, l 1), n20D 1.4300. The cinchonine salt of V was prepared, m. 144-7° (decomposition), [α]28D 106°, from which an acid phthalate was regenerated, m. 105.5-7.0°, and hydrolyzed to (+)-III, α28D 9.06° (neat, l 1). These latter values of -8.94° for (-)-III and 9.06° for (+)-III were considered best values. Also prepared were acetate of (+)-III, b155 130°, n21D 1.4166, α28D -1.44° (neat, l 1), and benzoate of (+)-III, b32 195°, n19D 1.4969, α25D -0.16° (neat, l 1). Racemic tert-BuCH(OH)Bu-iso (VI), b150 115-16°, n25D 1.4309, m. 17°, gave acid phthalate (VII), m. 83.5-4.5°. Strychnine was used in the resolution and eventually (+)-VII was obtained, m. 75.6-7.5°, [α]23D 8.7° (c 1.5, CHCl3), hydrolyzed to (+)-VI, m. 40-1°, α26D 57.5° (c 20.4, MeOH), and α23D 54.5° (neat, by extrapolation of rotation-concentration curve); acetate of (+)-VI b17 73°, α22D 15.15° (neat, l 0.5), n20D 1.4176, d22 0.852; benzoate of (+)-VI b0.6 88°, α25D 8.24° (neat, l 0.5), n20D 1.4870, d25 0.955. Racemic tert-BuCHBuOH (VIII), n20D 1.4320, was converted to acid phthalate (IX), m. 100.5-2.0°, and then to the strychnine salt. The regenerated (+)-IX was a glass, α23D 4.5° (c 2.8, CHCl3), which was saponified to (+)-VIII, n20D 1.4314, α24D 17.10° (neat, l 0.5). The (-)-phthalate from the more soluble fractions of strychnine salt gave (-)-VIII, α24D -16.39° (neat, l 0.5). The dl-tetrachlorophthalate of VIII was also prepared, m. 126-8°, converted to the strychnine salt, and the less soluble form, [α]25D -12°, hydrolyzed to (-)-acid tetrachlorophthalate, α22D -9.69°, which was saponified to (+)-VIII, α22D 13.70° (neat, l 0.5); 3,5-dinitrobenzoate (X) of (+)-VIII m. 107.5° (MeOH), α25D 10.0° (c 2.4, CHCl3); 3,5-dinitrobcnzoate of dl-VIII, m. 84.0-4.5°. X was saponified to (+)-VIII, b23 76°, α25D 17.12° (neat, l 0.5), n20D 1.4310, d26 0.823. The value for pure (+)-VIII was taken as α25D 34.24° (neat, l 1). From (-)-VIII, α25D -32.8° (neat, l 1), was prepared: acetate, b20 87°, α26D -11.25° (neat, l 0.5), n20D 1.4191, d26 0.851; benzoate, b0.5 98°, α25D -7.29° (neat, l 0.5), n20D 1.4887, d25 0.936; p-nitrobenzoate, b0.5 144-5°, α29D -12.50°, n25D 1.5070. Some work was done with the Grignard reagents of the following prepared compounds: (+)-1-bromo-2-methylbutane, b100 60.8°, n20D 1.4453, α24D 4.22° (neat, l 1), 84% optical purity, a 2nd preparation b100 57-8°, α26.6D 4.66°, 93% optical purity; and (+)-1-iodo-2-methytbutane, n20D 1.4955-69, α21D 8.65° (neat, l 1), 98.5% optical purity, 2nd preparation b53 70°, n20D 1.4969-72, α25D 16.8° (neat, l 2), optical purity 96.5%.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

SDS of cas: 616-14-8. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Gas chromatography of alkyl halides on a silicone oil capillary column. Author is Hepburn, D. R.; Hudson, H. R..

RX (R = C3H7, C4H9, and C5H11; X = Cl-, Br-, and I-) isomers were separated and identified by gas chromatog. on a capillary column containing silicone fluid MS 550 at 20° with N carrier gas and a flame ionization detector. The straight-chain secondary hexyl, heptyl, and octyl halide isomers were similarly separated at 20-80°. The technique was used to analyze quant. 27 com. available secondary alkyl halides for their isomeric composition

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem