Day: April 8, 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Diimidazoles. IV. Derivatives of 4,5-diaminoimidazole and their attempted cyclization》. Authors are Schubert, Hermann; Heydenhauss, Dieter.The article about the compound:1-Methyl-4-nitro-1H-imidazol-5-aminecas:4531-54-8,SMILESS:NC1=C([N+]([O-])=O)N=CN1C).Quality Control of 1-Methyl-4-nitro-1H-imidazol-5-amine. Through the article, more information about this compound (cas:4531-54-8) is conveyed.

The preparation of a series of 1-methyl-4-nitro-5-alkylaminoimidazoles (I) is described. The catalytic hydrogenation of I and of 1-methyl-4-nitro-5-aminoimidazole (Ia) (R = H) (II) yielded unstable diamines which could neither be isolated nor cyclized. Acetylation of II gave the di-Ac derivative (III) of II. I were formylated and acetylated smoothly; hydrogenation of the products yielded stable acyl derivatives of 4,5-diaminoimidazole. (CONHMe)2 with PCl5 gave 40.8% 5-chloro-1-methylimidazole (IV), b15 90°. IV (103 g.), 100 cc. concentrated HNO3, and 400 cc. H2O evaporated, the residue added in portions at 10° to 3 times its weight of concentrated H2SO4, and the mixture heated 2 hrs. on a water bath yielded 122 g. 5-Cl analog (V) of II, m. 149-50°. V (13.2g.)in 3.5%absolute NH3EtOH heated 2 hrs. at 130-40° in a sealed tube yielded 6.3 g. II, m. 303° (decomposition) (H2O). II (5 g.) and 200 cc. Ac2O refluxed about 5 hrs. gave 5.2 g. III, m. 149.5-50.5°. V (1.62 g.) in 25 cc. 7% absolute alc. MeNH2 refluxed 3 hrs. yielded 1.45 g. Ia (R = Me) (VI), m. 156-7° (EtOH). VI (5 g.) in 50 cc. HCO2Ac kept 20 hrs. at room temperature and concentrated yielded 5 g. the N-CHO derivative (VII), m. 142.5-3.5° (EtOH). VI (10 g.) in 200 cc. Ac2O heated 1 hr. at 90-100° gave 8.2 g. the N-Ac derivative (VIII), m. 168-9° (BuOH or dioxane). V (1.62 g.) in 37 cc. 7% absolute alc. EtNH2 refluxed 3 hrs. and refrigerated overnight yielded 1.6 g. Ia (R = Et), m. 161-2° (dioxane). In the same manner were prepared the following Ia (R, m.p., and % yield given): Pr, 114-18° (dioxan-epetr. ether), 92; Bu, 101-6° (dioxane-petr. ether), 61; PhCH2, 132-3° (EtOH), 90. Also prepared was the N-Me derivative of VI, m. 94-5.5° (C6H6-petr. ether), 47% yield. II (0.76 g.) in 30 cc. 85% HCO2H hydrogenated 4 hrs. at 17°/756 mm. over 0.2 g. PtO2 yielded a black-brown oil, which treated with dilute aqueous NaOH liberated NH3. III (0.5 g.) in 45 cc. absolute BuOH hydrogenated 40 min. at 17°/770 mm. over 0.2 g. PtO2, and the resulting oily product in C6H6 treated with the stoichiometric amount picric acid yielded 1-methyl-4-amino-5-(N,N-diacetylamino)imidazole picrate, m. 160-1° (decomposition) (BuOH). The BuOH solution from a duplicate run refluxed 1.5 hrs. under argon gave only a brown, flocculent precipitate Hydrogenation of 0.5 g. VI in H2O, dilute HCl, dry dioxane, AcOH, AcOH-HCl, and Ac2O over 0.2 g. PtO2 gave only oily unstable materials. VII (0.6 g.) in 100 cc. Bu0H hydrogenated 50 min. at 18°/763 mm., and the resulting yellow oil treated in EtOH with picric acid gave the picrate of 1-methyl-4-amino-5-(N-methyl-N-formylamino)imidazole (IX), m. 173-70 (decomposition) (H2O); styphnate m. 177-8.5° (decomposition) (H2O). The BuOH solution of the crude IX refluxed 2 hrs. under argon yielded a brown, flocculent precipitate VIII (2 g.) in 120 cc. BuOH hydrogenated 1 hr. at 20°/755 mm. over 0.4 g. PtO2 yielded 1.4 g. 5-AcMeN analog (X) of IX, m. 165-6° ( PhCl); picrate m. 217-21° (decomposition) (H2O); styphnate m. 196-9° (decomposition) (H2O); HCl salt m. 225-6° (decomposition). All attempted cyclizations of X were unsuccessful. X (0.5 g.) in 3 cc. absolute HCO2H refluxed 1.5 hrs. yielded 0.4 g. 1-methyl-4-formyl-amino-5-(N-methyl-N-acetylamino)imidazole (XI), m. 154-5.5° (absolute EtOH-Et2O). X (2.1 g.) in 15 cc. AcOH refluxed 0.5 hr. yielded 1.47 g. 4-AcNH analog of XI, m. 188.5-9.5° (1:1 dioxane-PhCl); picrate m. 166-9° (EtOH); all attempted cyclizations were unsuccessful.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

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, Article, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Aromatase inhibitors. Synthesis and evaluation of mammary tumor inhibiting activity of 3-alkylated 3-(4-aminophenyl)piperidine-2,6-diones, Author is Hartmann, Rolf W.; Batzl, Christine, which mentions a compound: 616-14-8, SMILESS is CCC(CI)C, Molecular C5H11I, Computed Properties of C5H11I.

Piperidinediones I (R = H, Me, Et, Pr, CHMe2, CH2CHMe2, CHMeEt, pentyl, isopentyl, CH2CHMeEt, sec-pentyl, hexyl, heptyl) were prepared by alkylating PhCH2CN, addition reaction of PhCHRCN with CH2:CHCN, hydrolysis and ring closure of NCCRPhCH2CH2CN, nitration, and reduction of the nitro group. In vitro I showed a stronger inhibition of human placental aromatase than aminoglutethimide (II). The most active derivative, I (R = isopentyl), showed a 93-fold stronger inhibition than II. I, except I (R = CHMe2, CH2CHMe2, CHMeEt) exhibited equal or lower inhibition of bovine adrenal desmolase than II. Many I showed a stronger inhibition of the plasma estradiol concentration of pregnant mare serum gonadotropin-primed rats than II. They inhibited the testosterone-stimulated tumor growth of ovariectomized 9,10-dimethyl-1,2-benzanthracene tumor-bearing rats more strongly than II. Being stronger and more selective inhibitors of the estrogen biosynthesis than II, some of the newly developed derivatives of II might be better candidates for the treatment of hormone-dependent human breast cancer.

Here is just a brief introduction to this compound(616-14-8)Computed Properties of C5H11I, more information about the compound(1-Iodo-2-methylbutane) is in the article, you can click the link below.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Secondary to normal alkyl group rearrangements in octahedral iridium(III) complexes. 1. Monoalkyl derivatives, the main research direction is alkyl group isomerization iridium complex; solvent effect alkyl isomerization; substituent effect alkyl isomerization; steric hindrance alkyl isomerization.HPLC of Formula: 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).

Here is just a brief introduction to this compound(616-14-8)HPLC of Formula: 616-14-8, more information about the compound(1-Iodo-2-methylbutane) is in the article, you can click the link below.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-Methyl-4-nitro-1H-imidazol-5-amine, is researched, Molecular C4H6N4O2, CAS is 4531-54-8, about A catalyst and additive-free three-component reaction of highly electrophilic azides with cyclic ketones and cycloaliphatic amines. Synthesis of novel N-heteroaryl amidines.Name: 1-Methyl-4-nitro-1H-imidazol-5-amine.

Highly electrophilic 5-azido-1-methyl-4-nitro-1H-imidazole and sulfonyl azides were demonstrated to react with alicyclic amines and cyclic ketones in the absence of any catalyst or additive to afford novel N-(4-nitroimidazol-5-yl)- or N-sulfonylamidines resp. Based on single crystal X-ray anal., a revision of the previously reported data of Gao and co-workers on the direction of the reaction of sulfonyl azides with endocyclic enamines was made. The reaction of 2,6-diazidopyridine with an enamine, 4-(cyclohex-1-en-1-yl)morpholine, proceeded with cyclization of the azide moiety onto the pyridine C=N bond to form an amidine bearing the tetrazolo[1,5-a]pyridine fragment.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about An extension of the linear relationship between molecular rotation and bond refraction.Category: thiomorpholine.

For the empirical equations [M]D = mΣ RD + I; [M]D is the mol. rotation, ΣRD is the sum of bond refractions, and m and I are constants for a given series of compounds, a different treatment of the term ΣRD extends the usefulness of the equation to all types of substituents, not just monovalent and linear substituents.

Here is just a brief introduction to this compound(616-14-8)Category: thiomorpholine, more information about the compound(1-Iodo-2-methylbutane) is in the article, you can click the link below.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 616-14-8, is researched, Molecular C5H11I, about Gamma radiolysis of branched chain hydrocarbons. 2,3-Dimethylbutane, the main research direction is dimethylbutane radiolysis; iodine radical scavenger dimethylbutane; butane dimethyl radiolysis.Name: 1-Iodo-2-methylbutane.

The γ-radiolysis of liquid 2,3-dimethylbutane at room temperature was investigated under vacuum. Iodine was used as a free radical scavenger and the formed alkyl iodides were analyzed by gas chromatog. with electron capture detector. Irradiations of frozen 2,3-dimethylbutane at 77°K were also performed. The fragmentation products and many of those having a number of C atoms higher than the parent were identified and measured. The formation of the identified heavy products is mainly due to recombination of radicals, as demonstrated by the comparison between their yields and those of alkyl iodides.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

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, Article, Chemical Science called Metal-free C(sp3)-H functionalization of sulfonamides via strain-release rearrangement, Author is Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng, which mentions a compound: 616-14-8, SMILESS is CCC(CI)C, Molecular C5H11I, COA of Formula: C5H11I.

A metal-free reaction system that enables C-H bond functionalization of aliphatic sulfonamides R(CH2)2N(F)Ts (R = decyl, cyclohexyl, oxan-4-yl, benzyl, etc.) using DABCO as a promoter under mild conditions, affording a series of α,β-unsaturated imines R1CH=C(R)CH=NTs (R1 = Ph, 4-chlorophenyl, 2,3-dihydro-1-benzofuran-5-yl, etc.) in good yields with high selectivities was presented. This protocol tolerates a broad range of functionalities and can serve as a powerful synthetic tool for the late-stage modification of complex compounds More importantly, control experiments and detailed DFT calculations suggest that this process involves [2 + 2] cyclization/ring-cleavage reorganization, which opens up a new platform for the establishment of other related reorganization reactions.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Name: 1-Iodo-2-methylbutane. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about N-Heterocyclic olefins as efficient phase-transfer catalysts for base-promoted alkylation reactions. Author is Blumel, Marcus; Crocker, Reece D.; Harper, Jason B.; Enders, Dieter; Nguyen, Thanh V..

N-Heterocyclic olefins (NHOs), e.g., I have very recently emerged as efficient promoters for several chem. reactions due to their strong Bronsted/Lewis basicities. The novel application of NHOs as efficient phase-transfer organocatalysts for synthetically important alkylation reactions on a wide range of substrates, further demonstrates the great potential of NHOs in organic chem has been reported.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Related Products of 616-14-8. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about N-Heterocyclic olefins as efficient phase-transfer catalysts for base-promoted alkylation reactions. Author is Blumel, Marcus; Crocker, Reece D.; Harper, Jason B.; Enders, Dieter; Nguyen, Thanh V..

N-Heterocyclic olefins (NHOs), e.g., I have very recently emerged as efficient promoters for several chem. reactions due to their strong Bronsted/Lewis basicities. The novel application of NHOs as efficient phase-transfer organocatalysts for synthetically important alkylation reactions on a wide range of substrates, further demonstrates the great potential of NHOs in organic chem has been reported.

Compound(616-14-8)Related Products of 616-14-8 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1-Iodo-2-methylbutane), if you are interested, you can check out my other related articles.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem