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Merck
CN
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文件

安全信息

262382

Sigma-Aldrich

4,4-二甲基-3-氧戊酰氰

99%

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别名:
新戊酰基乙腈
线性分子式:
(CH3)3CCOCH2CN
CAS号:
59997-51-2
分子量:
125.17
Beilstein:
1746674
EC 号:
262-017-1
MDL编号:
MFCD00010208
UNSPSC代码:
12352100
PubChem化学物质编号:
24855876
NACRES:
NA.22

检测方案

99%

形式

solid

bp

125-126 °C/22 mmHg (lit.)

mp

66-69 °C (lit.)

SMILES字符串

CC(C)(C)C(=O)CC#N

InChI

1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3

InChI key

MXZMACXOMZKYHJ-UHFFFAOYSA-N

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应用

4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of:
  • 4,4-dimethyl-3-oxo-2-benzylpentanenitrile
  • 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile
  • 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile
  • 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile
  • 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile
  • 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea

象形图

Skull and crossbones
GHS06

警示用语：

Danger

危险声明

H301

预防措施声明

P301 + P310

危险分类

Acute Tox. 3 Oral

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

法规信息

新产品

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John Regan et al.
Journal of medicinal chemistry, 45(14), 2994-3008 (2002-06-28)
We report on a series of N-pyrazole, N'-aryl ureas and their mode of binding to p38 mitogen activated protein kinase. Importantly, a key binding domain that is distinct from the adenosine 5'-triphoshate (ATP) binding site is exposed when the conserved
Phillip J Black et al.
Organic & biomolecular chemistry, 4(1), 116-125 (2005-12-17)
Alcohols have been employed as substrates for C-C bond-forming reactions which involve initial activation by the temporary removal of hydrogen to form an aldehyde. The intermediate aldehyde is converted into an alkene via a Horner-Wadsworth-Emmons reaction, nitroaldol and aldol reactions.

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