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About This Item
Linear Formula:
C2H5CH(C6H5)COCl
CAS Number:
Molecular Weight:
182.65
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.516 (lit.)
bp
122-125 °C/20 mmHg (lit.)
density
1.093 g/mL at 25 °C (lit.)
functional group
acyl chloride
phenyl
SMILES string
CCC(C(Cl)=O)c1ccccc1
InChI
1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI key
QGXMHCMPIAYMGT-UHFFFAOYSA-N
General description
The kinetic resolution of racemic 2-phenylbutyryl chloride by sterically hindered chiral secondary alcohols has been evaluated. 2-Phenylbutyryl chloride reacts with 4-methoxybenzoyl chloride catalyzed by PdBr(Ph)(PPh3)2 to yield 1-(4-methoxyphenyl)-2-phenyl-2-buten-1-one.
Application
(R)-(-)-2-phenylbutyryl chloride may be employed as chiral reagent for the determination of dopamine and dopamine-derived salsolinol and norsalsolinol in human brain by GC-MS method. Chiral (S)-(+)-2-phenylbutyryl chloride may be used as derivatization reagent for the hydroxyl groups during the GC-MS assay for the enantiomers of 1,2-propanediol, 1,3-butanediol, 1,3-pentanediol and their corresponding hydroxyacids in biological fluids.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
208.4 °F - closed cup
Flash Point(C)
98 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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