5415-07-6

Basic information

• Product Name: 3-Oxo-2,3-diphenylpropanenitrile
• Synonyms: 3-Oxo-2,3-diphenylpropanenitrile;α-Benzoylphenylacetonitrile;α-Phenyl-β-oxobenzenepropanenitrile;b-Oxo-a-phenyl-benzenepropanenitrile
• CAS NO: 5415-07-6
• Molecular Formula: C₁₅H₁₁NO
• Molecular Weight: 221.27
• Mol File: 5415-07-6.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 362.31°C (rough estimate)
• Flash Point: 184.3°C
• Appearance: /
• Density: 1.0966 (rough estimate)
• Vapor Pressure: 5.18E-06mmHg at 25°C
• Refractive Index: 1.6283 (estimate)
• CAS DataBase Reference: 3-Oxo-2,3-diphenylpropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxo-2,3-diphenylpropanenitrile(5415-07-6)
• EPA Substance Registry System: 3-Oxo-2,3-diphenylpropanenitrile(5415-07-6)

Safety Data

• Hazardous Substances Data: 5415-07-6(Hazardous Substances Data)

Usage

Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

InChI:InChI=1/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H

Upstream product

• 141-52-6 sodium ethanolate 
• 140-29-4 phenylacetonitrile 
• 100-47-0 benzonitrile 
• 7647-01-0 hydrogenchloride 
• 41278-43-7 3-amino-2,3-diphenylacrylonitrile 
• 26388-11-4 Natrium-phenylacetonitril 
• 98-88-4 benzoyl chloride 
• 451-40-1 phenyl benzyl ketone 
• 19158-51-1 P-toluenesulfonyl cyanide 
• 93-97-0 benzoic acid anhydride 
• 65-85-0 benzoic acid 
• 93-99-2 benzoic acid phenyl ester 
• 140866-59-7 1,2-diphenyl-3-(N,N-dimethylamino)-2-propen-1-one 
• 13745-35-2 (1-methyl-1H-benzo[d]imdiazol-2-yl)(phenyl)methanone 

Downstream Products

• 116730-29-1 5,6-diphenyl-pyrimidine-2,4-diyldiamine 
• 33238-92-5 2,5,6-triphenylpyrimidin-4-amine 
• 451-40-1 phenyl benzyl ketone 
• 124-38-9 carbon dioxide 
• 103-82-2 phenylacetic acid 
• 65-85-0 benzoic acid 
• 96816-65-8 O-(2-Cyano-1,2-diphenylvinyl)-thiophosphorsaeure-O,O-diphenylester 
• 93560-77-1 3-(2-Oxo-2-phenylethoxy)-2,3-diphenylacrylnitril 
• 93560-79-3 3-(2-Oxopropyloxy)-2,3-diphenylacrylnitril 
• 41278-43-7 3-amino-2,3-diphenylacrylonitrile 
• 51954-59-7 tetraphenyl-pyridin-2-ol 
• 35061-99-5 3-Oxo-2,3-diphenyl-propionamide 
• 52392-73-1 5-amino-3,4-diphenylisoxazole 
• 63633-46-5 3,4-diphenyl-1H-pyrazol-5-amine 

Relevant articles and documents

Asymmetric Transfer Hydrogenation of α-Substituted-β-Keto Carbonitriles via Dynamic Kinetic Resolution

A catalytic protocol for the enantio- and diastereoselective reduction of α-substituted-β-keto carbonitriles is described. The reaction involves a DKR-ATH process with the simultaneous construction of β-hydroxy carbonitrile scaffolds with two contiguous stereogenic centers. A wide range of α-substituted-β-keto carbonitriles were obtained in high yields (94%-98%) and excellent enantio- and diastereoselectivities (up to >99% ee, up to >99:1 dr). The origin of the diastereoselectivity was also rationalized by DFT calculations. Furthermore, this methodology offers rapid access to the pharmaceutical intermediates of Ipenoxazone and Tapentadol.

INHIBITORS OF CELLULAR METABOLIC PROCESSES

The invention provides inhibitor compounds of MAT2A that are useful as therapeutic agents for treating malignancies wherein the compounds have the general formula (I) : wherein ring A, ring B, ring C and, R1 are as described herein.

Synthesis of β-ketonitriles, α,β-alkynones and biscabinols from esters using tert-butoxide-assisted C(=O)-C (i.e., acyl-C) coupling under ambient conditions

We demonstrated the synthesis of β-ketonitriles, α,β- alkynones, and biscarbinols using tert-butoxide-assisted C(CO)-C (i.e., acyl-C) coupling of esters under ambient conditions. tert-Butoxide-assisted C(CO)-C (i.e., acyl-C) coupling of esters with cyanomethylenes and acetylenes under transition metal-free ambient conditions gives β-ketonitriles, α,β-alkynones and/or aryl bis(phenylethynyl)carbinols in moderate-to-good yields. It is noteworthy that this is a rapid, facile, and efficient process under ambient conditions, and use of cheap and stable starting materials.