所有图片(2)

文件

147885

4-苯基-3-丁烯-2-酮

Name: 4-苯基-3-丁烯-2-酮
Brand: ALDRICH

99%

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所有图片(2)

别名:

亚苄基丙酮, 甲基苯乙烯基酮, 苄叉丙酮

线性分子式:

C₆H₅CH=CHCOCH₃

CAS号:

122-57-6

分子量:

146.19

Beilstein:

742047

EC 号:

204-555-1

MDL编号:

MFCD00008779

PubChem化学物质编号:

24848836

NACRES:

NA.22

蒸汽压

0.01 mmHg ( 25 °C)

质量水平

100

检测方案

99%

形式

solid

bp

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

GHS07

警示用语：

Warning

危险声明

H315 - H317

预防措施声明

P261 - P264 - P272 - P280 - P302 + P352 - P333 + P313

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

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示例

T1503

货号

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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)

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)

Quantitative structure-activity relationship analyses of antioxidant and free radical scavenging activities for hydroxybenzalacetones.

Chisako Yamagami et al.

Bioorganic & medicinal chemistry letters, 14(22), 5629-5633 (2004-10-16)

Antioxidant activities for a series of hydroxybenzalacetones, OH-BZ, were evaluated by measuring inhibitory potencies of OH-BZ against lipid peroxidation induced by t-BuOOH or gamma-irradiation. Their quantitative structure-activity relationship (QSAR) studies indicated that the activities are mainly governed by electronic and

Crystallization and preliminary crystallographic analysis of a plant type III polyketide synthase that produces benzalacetone.

Hiroyuki Morita et al.

Acta crystallographica. Section F, Structural biology and crystallization communications, 64(Pt 4), 304-306 (2008-04-09)

Benzalacetone synthase (BAS) from Rheum palmatum is a plant-specific type III polyketide synthase that catalyzes the one-step decarboxylative condensation of 4-coumaroyl-CoA with malonyl-CoA to produce the diketide 4-(4-hydroxyphenyl)-but-3-en-2-one. Recombinant BAS expressed in Escherichia coli was crystallized by the sitting-drop vapour-diffusion

A structure-based mechanism for benzalacetone synthase from Rheum palmatum.