147885
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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关于此项目
线性分子式:
C6H5CH=CHCOCH3
化学文摘社编号:
分子量:
146.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-555-1
Beilstein/REAXYS Number:
742047
MDL number:
Assay:
99%
Form:
solid
InChI key
BWHOZHOGCMHOBV-BQYQJAHWSA-N
InChI
1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
SMILES string
[H]\C(=C(\[H])c1ccccc1)C(C)=O
vapor pressure
0.01 mmHg ( 25 °C)
assay
99%
form
solid
bp
260-262 °C (lit.)
mp
39-42 °C (lit.)
solubility
alcohol: freely soluble, benzene: freely soluble, chloroform: freely soluble, diethyl ether: freely soluble, petroleum ether: very slightly soluble, water: very slightly soluble
Quality Level
General description
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。
signalword
Warning
hcodes
Hazard Classifications
Skin Irrit. 2 - Skin Sens. 1
存储类别
11 - Combustible Solids
wgk
WGK 2
flash_point_f
253.4 °F - closed cup
flash_point_c
123 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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)
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
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
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.
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