CAS 96406-06-3

Formula: C9H7ClO3

InChI: InChI=1S/C9H7ClO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)

InChI key: RQLSQGBGWWZKEL-UHFFFAOYSA-N

SMILES: C1=CC(=CC(=C1)Cl)CC(=O)C(=O)O

3-(3-Chlorophenyl)-2-oxopropanoic acid

CAS: 96406-06-3

3-(3-Chlorophenyl)-2-oxopropanoic acid

Formula: C₉H₇ClO₃

Purity: 95%

Molecular weight: 198.6

Ref: 54-OR1033429

3-(3-Chlorophenyl)-2-oxopropanoic acid

CAS: 96406-06-3

Formula: C₉H₇ClO₃

Purity: 95%

Molecular weight: 198.6031

Ref: IN-DA019V47

3-(3-chlorophenyl)-2-hydroxyprop-2-enoic acid

CAS: 96406-06-3

Purity: 95%

Molecular weight: 198.6000061

Ref: 10-F778197

3-(3-Chlorophenyl)-2-oxopropanoic acid

CAS: 96406-06-3

3-(3-Chlorophenyl)-2-oxopropanoic acid is a diastereomer of 2-phenylpropanoic acid. It is used in the synthesis of diketopiperazines, which are analogues of amphetamines. The synthesis proceeds by the addition of ethyl chloroacetate to α-chloroacrylic acid followed by reaction with cyclohexanol and then reduction with lithium aluminum hydride. The stereoselectivity of this reaction is determined by the enantioselective transfer of a proton from the hydroxyl group to the adjacent carbonyl group. This process occurs more readily when an enantiomerically pure chiral catalyst is used, leading to a diastereoselective synthesis.

Formula: C₉H₇ClO₃

Purity: Min. 95%

Molecular weight: 198.6 g/mol

Ref: 3D-WDA40606