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文件

129623

2-巯基嘧啶

Name: 2-巯基嘧啶
Brand: ALDRICH

98%

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别名:

2-嘧啶硫醇

经验公式（希尔记法）:

C₄H₄N₂S

CAS号:

1450-85-7

分子量:

112.15

Beilstein:

107105

EC 号:

215-917-3

MDL编号:

MFCD00006073

PubChem化学物质编号:

24847918

NACRES:

NA.22

质量水平

100

检测方案

98%

形式

powder

mp

230 °C (dec.) (lit.)

SMILES string

Sc1ncccn1

InChI

1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

InChI key

HBCQSNAFLVXVAY-UHFFFAOYSA-N

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应用

2-嘧啶硫醇已用于研究外消旋环状烯丙基碳酸酯和外消旋非环状烯丙基碳酸酯的高选择性钯催化动力学拆分。此外，它还用于研究氧化锌在充气水溶液中对2-嘧啶硫醇的光降解作用。

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

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Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.

V Krishnakumar et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 63(2), 454-463 (2005-07-02)

The molecular vibrations of 2-mercapto pyrimidine (MP) and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine (DAHNP) were investigated in polycrystalline sample, at room temperature, by Fourier transform infrared (FT-IR) and FT-Raman spectroscopics. In parallel, ab initio and various density functional (DFT) methods were used to

Highly selective palladium catalyzed kinetic resolution and enantioselective substitution of racemic allylic carbonates with sulfur nucleophiles: asymmetric synthesis of allylic sulfides, allylic sulfones, and allylic alcohols.

Hans-Joachim Gais et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 9(17), 4202-4221 (2003-09-04)

We describe the highly selective palladium catalyzed kinetic resolutions of the racemic cyclic allylic carbonates rac-1 a-c and racemic acyclic allylic carbonates rac-3 aa and rac-3 ba through reaction with tert-butylsulfinate, tolylsulfinate, phenylsulfinate anions and 2-pyrimidinethiol by using N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-benzamide] (BPA)

Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study.

Maria Carolina P Lima et al.

The journal of physical chemistry. A, 110(22), 7253-7261 (2006-06-02)

A combined Monte Carlo and quantum mechanical study was carried out to analyze the tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution. Second- and fourth-order Møller-Plesset perturbation theory calculations indicate that in the gas phase thiol

Oxidation process induced by 2-mercaptopyrimidine at a mercury electrode.

Josefa Angela García Calzón et al.

Journal of colloid and interface science, 290(2), 498-504 (2005-06-15)

The oxidation process induced by 2-mercaptopyrimidine (RSH) at a hanging mercury drop electrode was studied in aqueous media by normal and cyclic voltammetry. The results indicate the formation of a weakly adsorbed HgSR complex according to the reaction Hg+RSH-->HgSR+e(-)+H+. When

Preliminary finding on a new calcium channel entry blocker chemotype: 5,6-diamino-4-hydroxy-2-mercaptopyrimidine derivatives.

Barbara Cosimelli et al.

Journal of medicinal chemistry, 54(15), 5597-5601 (2011-07-01)

We report the preliminary in vitro characterization of a series of pyrimidines as a new chemotype that modulates cardiovascular parameters and relaxes ileum smooth muscle according to classical calcium entry blockers. Tested compounds showed an interesting negative inotropic selectivity. In

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