Month: March 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Asymmetric reductions. VI. The action of the Grignard reagent from (+)-1-chloro-2-methylbutane on a series of alkyl tert-butyl ketones》. Authors are Foley, William M.; Welch, Frank J.; Combe, Edward M. La; Mosher, Harry S..The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Name: 1-Iodo-2-methylbutane. Through the article, more information about this compound (cas:616-14-8) is conveyed.

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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Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Name: 1-Iodo-2-methylbutane. 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. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Application of multipurpose dimethyl formamide-like task specific ionic liquid as a recyclable reagent for direct iodination of alcohols.

A direct and an efficient conversion of a wide range of primary, secondary and tertiary alcs. to the corresponding iodides was obtained under ionic liquid conditions. The method involves preparation of ionic liquid-based iminium chloride intermediate from DMF-like ionic liquid then stirring it with alc. in present of sodium iodide. The higher yields of alkyl iodides were obtained within min. time with simplest operational procedure and DMF-like ionic liquids could be recycled.

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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 Solvatochromism of Heteroaromatic Compounds: XIV. 5-Amino-1-methyl-4-nitropyrazole and Its Analogs.Product Details of 4531-54-8.

The solvatochromism of H complexes of 5-amino-1-methyl-4-nitropyrazole and 2-nitroaniline derivatives in aprotic protophilic media was described on a quant. level with the aid of Kamlet-Taft empirical parameters. Specific solvation affects only one of the two long-wave bands, that corresponding to an electronic transition involving orbital electron d. transfer from the H-bound N atom. When such transfer does not occur, which is typical of the second transition, specific solvatochromic effect is either weak or absent.

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Thiomorpholine | C4H9NS – PubChem

Computed Properties of C5H11I. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Palladium-Catalyzed Arylation of Unactivated γ-Methylene C(sp3)-H and δ-C-H Bonds with an Oxazoline-Carboxylate Auxiliary. Author is Ling, Peng-Xiang; Fang, Sheng-Long; Yin, Xue-Song; Chen, Kai; Sun, Bo-Zheng; Shi, Bing-Feng.

A palladium-catalyzed arylation of unactivated γ-methylene C(sp3)-H and remote δ-C-H bonds by using an oxazoline-carboxylate directing group has been developed. Arylation occurs with a broad substrate scope and high tolerance of functional groups (i.e., halogen, nitro, cyano, ether, trifluoromethyl, amine, and ester). The oxazoline-type auxiliary can be removed under acidic conditions.

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Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Optical rotation and atomic dimension》. Authors are Brauns, D. H..The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Reference of 1-Iodo-2-methylbutane. Through the article, more information about this compound (cas:616-14-8) is conveyed.

The 1-F, 1-Cl, 1-Br and 1-I derivatives of 2-methylbutane have [M]D20 -799.1°, 179.1°, 610.1° and 1124.7°, resp. If the F derivative is classified with the other halogen derivatives, the values for the ratio Cl-F, Br-Cl and I-Br are 41:18.1:21.6 which agree well with the ratios of the resp. at. diameters.

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Product Details of 4531-54-8. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Methyl-4-nitro-1H-imidazol-5-amine, is researched, Molecular C4H6N4O2, CAS is 4531-54-8, about Nitroimidazoles. VI. Partition coefficients and tautomerism of simple nitroimidazoles. Author is Suwinski, Jerzy; Salwinska, Ewa; Watras, Jan; Widel, Maria.

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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Thiomorpholine – Wikipedia,
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Safety of 1-Iodo-2-methylbutane. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Kinetics, products and mechanism of O(3P) atom reactions with alkyl iodides. Author is Barnes, Ian.

Alkyl halides are an important source of halogens in the atm. In the case of alkyl iodides, relative kinetic studies of their OH reactions in photoreactors are complicated by fast reactions with the O(3P) atoms generated by the photochem. OH radical sources. In the present study, the relative kinetic technique was applied in large and small photoreactors to measure rate coefficients for the reaction of O(3P) atoms with a series of alkyl iodides at room temperature and atm. pressure. The products formed in N2 were also investigated. Alkenes and HOI are the major products of the reactions and the alkene was quantified for the majority of the alkyl iodides studied.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1-Iodo-2-methylbutane( cas:616-14-8 ) is researched.Name: 1-Iodo-2-methylbutane.Ling, Peng-Xiang; Fang, Sheng-Long; Yin, Xue-Song; Chen, Kai; Sun, Bo-Zheng; Shi, Bing-Feng published the article 《Palladium-Catalyzed Arylation of Unactivated γ-Methylene C(sp3)-H and δ-C-H Bonds with an Oxazoline-Carboxylate Auxiliary》 about this compound( cas:616-14-8 ) in Chemistry – A European Journal. Keywords: aryl substituted alkyl amine derivative preparation; oxazoline carboxamide preparation iodoarene arylation palladium catalyst; CH activation; arylation; directing groups; oxazolines; palladium. Let’s learn more about this compound (cas:616-14-8).

A palladium-catalyzed arylation of unactivated γ-methylene C(sp3)-H and remote δ-C-H bonds by using an oxazoline-carboxylate directing group has been developed. Arylation occurs with a broad substrate scope and high tolerance of functional groups (i.e., halogen, nitro, cyano, ether, trifluoromethyl, amine, and ester). The oxazoline-type auxiliary can be removed under acidic conditions.

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Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio published an article about the compound: (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate( cas:198544-60-4,SMILESS:O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](CC(C)C)C(Cl)=O ).Computed Properties of C21H22ClNO3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:198544-60-4) through the article.

A chem. genetics approach has been applied in the screening of yeast deletants strains with a pool of morpholine-derived compounds in order to identify candidate small mols. able to produce phenotypic effects on yeast cells. The anal. of the effects of structurally diverse mols. towards cell growth rate in both exponential and stationary phases provides a tool to select candidate compounds for subsequent assays to identify new chem. entities as chem. probes for drug discovery.

Here is just a brief introduction to this compound(198544-60-4)Computed Properties of C21H22ClNO3, more information about the compound((R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate) is in the article, you can click the link below.

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Reference of (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate, is researched, Molecular C21H22ClNO3, CAS is 198544-60-4, about Total Solid Phase Syntheses of the Quinazoline Alkaloids: Verrucines A and B and Anacine. Author is Wang, Haishan; Sim, Mui Mui.

The first total syntheses of verrucines A and B and anacine (revised structure) were accomplished on Sasrin resin. This work confirmed the structure of verrucine A and unambiguously showed verrucine B to be a derivative of D-phenylalanine and L-glutamine. The study also proved that anacine and its epimer are quinazoline alkaloids, not benzodiazepines as originally proposed. 1-Hydroxyverrucine B, derived from air oxidization of verrucine B, was also isolated and characterized.

Here is just a brief introduction to this compound(198544-60-4)Reference of (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate, more information about the compound((R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate) is in the article, you can click the link below.

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