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Merck
CN

164771

Sigma-Aldrich

3-氨基苯甲腈

99%

别名:

3-氰基苯胺

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关于此项目

线性分子式:
H2NC6H4CN
化学文摘社编号:
分子量:
118.14
Beilstein:
636498
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平

方案

99%

表单

solid

mp

48-53 °C (lit.)

官能团

nitrile

SMILES字符串

Nc1cccc(c1)C#N

InChI

1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2

InChI key

NJXPYZHXZZCTNI-UHFFFAOYSA-N

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一般描述

3-Aminobenzonitrile on condensation reaction with 4-isothiocyanato-4-methyl pentane-2-one gives condensed monocyclic pyrimidine derivatives.

应用

3-Aminobenzonitrile was used in the synthesis of series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles. It was also used in the preparation of highly substituted γ-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist.

象形图

Exclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Sens. 1

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

233.6 °F - closed cup

闪点(°C)

112 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

法规信息

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分析证书(COA)

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Sham M Sondhi et al.
Bioorganic & medicinal chemistry, 13(22), 6158-6166 (2005-08-24)
3-Aminobenzonitrile and 2-amino-4-phenyl thiazole on condensation with 4-isothiocyanato-4-methyl pentane-2-one gave condensed monocyclic pyrimidine derivatives 1 and 2, 3, respectively. Condensation of 3-aminopropyl imidazole with 3-isothiocyantobutanal gave condensed monocyclic pyrimidine derivative 4. Bicyclic pyrimidine derivatives 5a and 5b have been synthesized
Jeffrey C Pelletier et al.
Bioorganic & medicinal chemistry, 13(21), 5986-5995 (2005-08-16)
An unusual combination of Weinreb amidation and Mitsunobu lactam formation was used to prepare highly substituted gamma-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist. The analogue synthesis was stereoselective and the final products were chemically stable. Biological properties
Cheng Hua Jin et al.
European journal of medicinal chemistry, 46(9), 3917-3925 (2011-06-24)
A series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles 14a-d, 15a-d, 17a, 17b, 18a-d, 19a, and 19b has been synthesized and evaluated for their ALK5 inhibitory activity in an enzyme assay and in a cell-based luciferase reporter assay. The 2-[3-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-pyrazol-1-yl]-N-phenylethanethioamide (18a) inhibited ALK5 phosphorylation with

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