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559334 Sigma-Aldrich

3-Hydroxy-3-phenylpropionitrile

Synonym: β-Hydroxy-benzenepropanenitrile

  • CAS Number 17190-29-3

  • Linear Formula C6H5CH(OH)CH2CN

  • Molecular Weight 147.17

  •  MDL number MFCD00544189

  •  PubChem Substance ID 24879816

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
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

Description

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

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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Protocols & Articles
Peer-Reviewed Papers
15

References

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