161268
4-Phenyl-3-butyn-2-one
96%
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About This Item
Linear Formula:
C6H5C≡CCOCH3
CAS Number:
Molecular Weight:
144.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
217-327-1
MDL number:
Product Name
4-Phenyl-3-butyn-2-one, 96%
InChI key
UPEUQDJSUFHFQP-UHFFFAOYSA-N
InChI
1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
SMILES string
CC(=O)C#Cc1ccccc1
assay
96%
form
liquid
refractive index
n20/D 1.574 (lit.)
bp
75-76 °C/0.8 mmHg (lit.)
density
0.99 g/mL at 25 °C (lit.)
functional group
ketone
phenyl
storage temp.
2-8°C
General description
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.
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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)
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations.
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
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
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