114990-93-1

Basic information

• Product Name: Benzenebutanoic acid, 4-fluoro-.alpha.-hydroxy-, (.alpha.R)-
• Synonyms: Benzenebutanoic acid, 4-fluoro-.alpha.-hydroxy-, (.alpha.R)-
• CAS NO: 114990-93-1
• Molecular Formula: C10H11FO3
• Molecular Weight: 198.1909432
• Mol File: 114990-93-1.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenebutanoic acid, 4-fluoro-.alpha.-hydroxy-, (.alpha.R)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, 4-fluoro-.alpha.-hydroxy-, (.alpha.R)-(114990-93-1)
• EPA Substance Registry System: Benzenebutanoic acid, 4-fluoro-.alpha.-hydroxy-, (.alpha.R)-(114990-93-1)

Safety Data

• Hazardous Substances Data: 114990-93-1(Hazardous Substances Data)

Upstream product

• 85918-77-0 ethyl 4-(4-fluorophenyl)-2-oxobutanoate 
• 332-42-3 (2-bromoethyl)-4-fluorobenzene 
• 1267352-87-3 C₁₀H₉FO₃ 
• 515824-21-2 C₁₀H₇FO₃ 
• 702-15-8 3-(4-fluorophenyl)propan-1-ol 
• 459-57-4 4-fluorobenzaldehyde 
• 63416-70-6 3-(4-fluorophenyl)propanal 
• 225233-79-4 rac-2-amino-4-(4-fluorophenyl)butanoic acid 
• 917247-89-3 rac-2-hydroxy-4-(4-fluorophenyl)butanoic acid 
• 108-05-4 vinyl acetate 
• 136265-10-6 ethyl 4-fluorocinnamate 
• 7116-38-3 ethyl 3-(4-fluorophenyl)propanoate 

Downstream Products

• 917247-89-3 rac-2-hydroxy-4-(4-fluorophenyl)butanoic acid 
• 1058856-46-4 C₁₂H₁₅FO₃ 

Relevant articles and documents

Highly enantioselective hydrogenation of 2-oxo-4-arybutanoic acids to 2-hydroxy-4-arylbutanoic acids

The Ru-catalyzed asymmetric hydrogenation of 2-oxo-4-arybutanoic acids to afford 2-hydroxy-4-arybutanoic acids was accomplished by employing SunPhos as chiral ligand and 1 M aq HBr as additive. The high enantioselectivities (88.4%-92.6% ee) and efficiency (TON=10,000, TOF=300 h-1) make this method efficient for the synthesis of an important intermediate, (R)-2-hydroxy-4-phenylbutanoic acid, for ACE inhibitors.

Biocatalytic racemization of (hetero)aryl-aliphatic α- hydroxycarboxylic acids by Lactobacillus spp. proceeds via an oxidation-reduction sequence

The biocatalytic racemization of a range of (hetero)aryl- and (di)aryl-aliphatic α-hydroxycarboxylic acids has been achieved by using whole resting cells of Lactobacillus spp. The essentially mild (physiological) reaction conditions ensure the suppression of undesired side reactions, such as elimination, decomposition or condensation. Cofactor/inhibitor studies using a cell-free extract of Lactobacillus paracasei DSM 20207 reveal that the addition of redox cofactors (NAD+/NADH) leads to a distinct increase in the racemization rate, while strong inhibition is observed in the presence of Thio-NAD+, which suggests that the racemization proceeds by an oxidation-reduction sequence rather than involvement of a "racemase" enzyme. Wiley-VCH Verlag GmbH & Co. KGaA, 2006.