120345-61-1

Basic information

• Product Name: Propanoic acid, 2,2-dimethyl-, cyanophenylmethyl ester
• CAS NO: 120345-61-1
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.268
• Mol File: 120345-61-1.mol

Chemical Properties

• CAS DataBase Reference: Propanoic acid, 2,2-dimethyl-, cyanophenylmethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanoic acid, 2,2-dimethyl-, cyanophenylmethyl ester(120345-61-1)
• EPA Substance Registry System: Propanoic acid, 2,2-dimethyl-, cyanophenylmethyl ester(120345-61-1)

Safety Data

• Hazardous Substances Data: 120345-61-1(Hazardous Substances Data)

Upstream product

• 7677-24-9 trimethylsilyl cyanide 
• 1538-75-6 2,2-dimethylpropanoic anhydride 
• 100-52-7 benzaldehyde 
• 27644-18-4 pivaloyl bromide 
• 42867-40-3 pivaloyl cyanide 
• 532-28-5 (RS)-mandelonitrile 
• 3282-30-2 pivaloyl chloride 

Downstream Products

• 104330-13-4 3,3-dimethyl-2-phenylbutanenitrile 

Relevant articles and documents

Synthesis of 2,4,5-Trisubstituted Oxazoles via Pd-Catalyzed C-H Addition to Nitriles/Cyclization Sequences

A practical and flexible intermolecular protocol for the diverse synthesis of trisubstituted oxazole derivatives via a Pd-catalyzed direct C-H addition of electronic-rich heteroarenes to O-acyl cyanohydrins bearing an α-hydrogen/cyclization sequence is described. A wide range of trisubstituted oxazoles can be prepared from readily available starting materials in good to high yields with high efficiency under redox neutral reaction conditions.

Lewis acid-lewis base-catalysed enantioselective addition of α-ketonitriles to aldehydes

Additions of structurally diverse α-ketonitriles to aromatic and aliphatic prochiral aldehydes yielding highly enantioenriched acylated cyanohydrins were achieved using a combination of a titanium salen dimer and an achiral or chiral Lewis base. In most cases high yields and high enantioselectivities were observed. The ee was moderate in the initial part of the reaction but increased over time. This could be avoided, and higher ees obtained, by keeping the titanium complex, in the presence or absence of aldehyde and ketonitrile, at -40°C prior to the addition of the Lewis base. A mechanism initiated by nucleophilic attack of the tertiary amine at the carbonyl carbon atom of the ketonitile is supported by 13C labelling experiments.

An efficient and facile one-pot synthesis of cyanohydrin esters from carbonyl compounds catalyzed by iron(III) chloride

A variety of cyanohydrin esters were readily prepared from carbonyl compounds with trimethylsilyl cyanide and acid anhydride under the influence of a catalytic amount of iron(III) chloride in a convenient one-pot procedure.

Enantioselective synthesis of protected cyanohydrins

A straightforward process for the preparation of optically active protected cyanohydrins, important building blocks for the synthesis of drugs and agrochemicals, has been established. Lipase B from Candida Antarctica (CAL-B) catalysed the kinetic resoluti