559334

3-Hydroxy-3-phenylpropionitrile

• Sinónimos: β-Hydroxy-benzenepropanenitrile
• Fórmula lineal: C₆H₅CH(OH)CH₂CN
• Número de CAS: 17190-29-3
• Peso molecular: 147.17
• MDL number: MFCD00544189
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879816
• NACRES: NA.22

Propiedades

• form: solid
• refractive index: n20/D 1.5420 (lit.)
• bp: 306-307 °C (lit.)
• density: 1.112 g/mL at 25 °C (lit.)
• SMILES string: OC(CC#N)c1ccccc1
• InChI: 1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
• InChI key: HILDHWAXSORHRZ-UHFFFAOYSA-N

Descripción

General description

3-Hydroxy-3-phenylpropionitrile, a β-hydroxynitrile, is an aryl substituted α-aminophenylaceronitrile. It can be obtained by reacting lithioacetonitrile with benzaldehyde via asymmetric 1,2-addition reaction.

Application

Reactant for:

• Hydrolysis by cyanobacterium nitrilase in catalytic preparation of carboxylic acid
• Biotransformation to amide using nitrile hydratase from Rhodococcus erythropolis A4
• Direct catalytic aldol-type reactions

Información de seguridad

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)