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Merck
CN

147885

Sigma-Aldrich

4-苯基-3-丁烯-2-酮

99%

别名:

亚苄基丙酮, 甲基苯乙烯基酮, 苄叉丙酮

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About This Item

线性分子式:
C6H5CH=CHCOCH3
CAS号:
分子量:
146.19
Beilstein:
742047
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

蒸汽压

0.01 mmHg ( 25 °C)

质量水平

方案

99%

表单

solid

沸点

260-262 °C (lit.)

mp

39-42 °C (lit.)

溶解性

alcohol: freely soluble
benzene: freely soluble
chloroform: freely soluble
diethyl ether: freely soluble
petroleum ether: very slightly soluble
water: very slightly soluble

SMILES字符串

[H]\C(=C(\[H])c1ccccc1)C(C)=O

InChI

1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChI key

BWHOZHOGCMHOBV-BQYQJAHWSA-N

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一般描述

反式 -4-苯基-3-丁烯-2-酮是谷胱甘肽转移酶的底物 。它与甲基 - 和苄基胍反应生成芳香族N2-取代的2-嘧啶胺

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Skin Irrit. 2 - Skin Sens. 1

储存分类代码

11 - Combustible Solids

WGK

WGK 2

闪点(°F)

253.4 °F - closed cup

闪点(°C)

123 °C - closed cup

个人防护装备

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Dihydropyrimidines and related structures. I. N2-substituted 2-pyrimidinamines and dihydro-2-pyrimidinamines by reaction of phenylbutenones and monosubstituted guanidines.
Winfried W and Schermanz K.
Journal of Heterocyclic Chemistry, 21(1), 65-69 (1984)
Glutathione S-transferases. The first enzymatic step in mercapturic acid formation.
W H Habig et al.
The Journal of biological chemistry, 249(22), 7130-7139 (1974-11-25)
Jiyong Zhang et al.
The Journal of organic chemistry, 71(7), 2918-2921 (2006-03-25)
The first efficient asymmetric synthesis of obolactone 1 has been accomplished in 11 steps and with a 15% overall yield in which Brown's enantioselective allylation reactions and ring-closing metathesis reaction are key steps.
Bin Cao et al.
Organic & biomolecular chemistry, 10(6), 1239-1245 (2011-12-20)
An efficient and easy procedure to synthesize the pyridinyl analogues of dibenzylideneacetone (pyr-dba) was developed by the condensation of substituted nicotinaldehyde and acetone in the presence of K(2)CO(3) in toluene-EtOH-H(2)O solvent system. Structurally diverse pyr-dba, including quinolinyl dba, can be
Chisako Yamagami et al.
Bioorganic & medicinal chemistry letters, 12(17), 2281-2285 (2002-08-06)
The inhibitory effect (IC(50)) of the title compounds on UV-induced mutagenesis in Escherichia coli WP2uvrA was analyzed quantitatively by using various quantum chemical descriptors and also by the CoMFA method: both approaches provided results of similar quality. The activity was

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