895570-68-0

Basic information

• Product Name: 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile
• Synonyms: 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile
• CAS NO: 895570-68-0
• Molecular Weight: 179.243
• Mol File: 895570-68-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 73-74 °C
• Boiling Point: 359.9±32.0 °C(Predicted)
• Density: 1.23±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile(895570-68-0)
• EPA Substance Registry System: 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile(895570-68-0)

Safety Data

• Hazardous Substances Data: 895570-68-0(Hazardous Substances Data)

Upstream product

• 108-05-4 vinyl acetate 
• 167173-31-1 2-hydroxy-2-(4-(methylthio)phenyl)acetonitrile 
• 74-90-8 hydrogen cyanide 
• 3446-89-7 4-(Methylthio)benzaldehyde 

Downstream Products

• 895570-74-8 (R)-O-(1-methoxyisopropyl)-4-methylsulfanyl-mandelonitrile 

Relevant articles and documents

A High-Throughput Screening Method for the Directed Evolution of Hydroxynitrile Lyase towards Cyanohydrin Synthesis

Chiral cyanohydrins are useful intermediates in the pharmaceutical and agricultural industries. In nature, hydroxynitrile lyases (HNLs) are a kind of elegant tool for enantioselective hydrocyanation of carbonyl compounds. However, currently available methods for demonstrating hydrocyanation are still stalled at precise, but low-throughput, GC or HPLC analyses. Herein, we report a chromogenic high-throughput screening (HTS) method that is feasible for the cyanohydrin synthesis reaction. This method was highly anti-interference and sensitive, and could be used to directly profile the substrate scope of HNLs either in cell-free extract or fermentation clear broth. This HTS method was also validated by generating new variants of PcHNL5 that presented higher catalytic efficiency and stronger acidic tolerance in variant libraries.

Enzymatic kinetic resolution of racemic cyanohydrins via enantioselective acylation

Enzymatic kinetic resolution of a series of aromatic and aliphatic cyanohydrins in organic media has been investigated. The behavior of potential lipases, molecular sieves, acyl reagent, reaction temperature, and organic solvents on the kinetic resolution was studied. The influence of substrate structure, steric, and electronic nature and position of the aryl substituent on the enantioselectivity was discussed. Under the optimized reaction conditions, good enantioselectivity could be achieved for most of the investigated compounds. Specifically, substrates 1a, 1c, 1d, 1f, 1u could be resolved with the kinetic enantiomer ratio (E) higher than 200.