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Merck
CN

161268

Sigma-Aldrich

4-苯基-3-丁炔-2-酮

96%

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About This Item

线性分子式:
C6H5C≡CCOCH3
CAS号:
分子量:
144.17
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

96%

表单

liquid

折射率

n20/D 1.574 (lit.)

沸点

75-76 °C/0.8 mmHg (lit.)

密度

0.99 g/mL at 25 °C (lit.)

官能团

ketone
phenyl

储存温度

2-8°C

SMILES字符串

CC(=O)C#Cc1ccccc1

InChI

1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3

InChI key

UPEUQDJSUFHFQP-UHFFFAOYSA-N

一般描述

4-Phenyl-3-butyn-2-one is an α,β-ketoalkyne. Reaction of 4-phenyl-3-butyn-2-one with bromine chloride and iodine monochloride in CH2Cl2, CH2Cl2/pyridine and MeOH are studied. Reduction of 4-phenyl-3-butyn-2-one in THF solution has been reported.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Acute Tox. 4 Oral

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

203.0 °F - closed cup

闪点(°C)

95 °C - closed cup

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Victor L Heasley et al.
The Journal of organic chemistry, 67(7), 2183-2187 (2002-04-02)
The reactions of 3-butyn-2-one (1), 3-hexyn-2-one (2), and 4-phenyl-3-butyn-2-one (3) with bromine chloride (BrCl) and iodine monochloride (ICl) in CH(2)Cl(2), CH(2)Cl(2)/pyridine, and MeOH are described. The data show that the major products in CH(2)Cl(2) are (Z)-AM (anti-Markovnikov) regioisomers. With the
Shigeyuki Kitamura et al.
Drug metabolism and disposition: the biological fate of chemicals, 30(4), 414-420 (2002-03-20)
The reduction of the triple bond and carbonyl group of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one (PBYO), by rat liver microsomes and cytosol was investigated. The triple-bond-reduced product trans-4-phenyl-3-buten-2-one (PBO) and the carbonyl-reduced product 4-phenyl-3-butyn-2-ol (PBYOL) were formed when PBYO was incubated with
Improved procedure for the asymmetric reduction of prochiral ketones by B-3-pinanyl-9-borabicyclo [3.3. 1] nonane.
Brown HC and Pai GG.
The Journal of Organic Chemistry, 47(8), 1606-1608 (1982)

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