7391-29-9

Basic information

• Product Name: 2-methyl-3-oxo-3-phenyl-propanenitrile
• Synonyms: 2-methyl-3-oxo-3-phenyl-propanenitrile
• CAS NO: 7391-29-9
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.1846
• Mol File: 7391-29-9.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 299.7°Cat760mmHg
• Flash Point: 135.1°C
• Appearance: /
• Density: 1.077g/cm³
• Vapor Pressure: 0.00117mmHg at 25°C
• Refractive Index: 1.526
• CAS DataBase Reference: 2-methyl-3-oxo-3-phenyl-propanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-3-oxo-3-phenyl-propanenitrile(7391-29-9)
• EPA Substance Registry System: 2-methyl-3-oxo-3-phenyl-propanenitrile(7391-29-9)

Safety Data

• Hazardous Substances Data: 7391-29-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H9NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3

Upstream product

• 14677-22-6 4-methyl-5-phenylisoxazole 
• 93-89-0 benzoic acid ethyl ester 
• 93-58-3 benzoic acid methyl ester 
• 107-12-0 propiononitrile 
• 6084-17-9 2-chloro-1-phenylpropan-1-one 
• 13435-20-6 tetraethylammoniumcyanide 
• 53094-22-7 3-amino-2-methyl-3-phenyl-acrylonitrile 
• 100-52-7 benzaldehyde 
• 19481-82-4 2-bromopropionitrile 
• 100-47-0 benzonitrile 
• 2114-00-3 2-bromo-1-phenyl-1-propanone 
• 85822-94-2 0,0-Diethyl-0-(2-cyan-2-methyl-1-phenyl-vinyl)-phosphates 
• 48116-06-9 (Z)-2-Cyano-1-phenyl-ethenol anion 
• 80-48-8 methyl p-toluene sulfonate 

Downstream Products

• 83021-65-2 3,6-dimethyl-4-phenyl-pyridin-2-ol 
• 36393-58-5 anti-3-hydroxy-2-methyl-3-phenylpropanylamine 
• 355116-18-6 phenyl 1-(tetrazol-5-yl)ethyl ketone 
• 30830-04-7 1,4-dimethyl-3-phenyl-1H-pyrazol-5-amine 
• 4320-84-7 5-amino-4-methyl-3-phenylisoxazole 
• 29478-51-1 (2RS,3SR)-3-hydroxy-2-methyl-3-phenylpropionamide 

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.

SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF

The present invention covers substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine compounds of general formula (I) as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular and renal diseases, as a sole agent or in combination with other active ingredients.

Catalytic Activation of 1-Cyano-3,3-dimethyl-3-(1H)-1,2-benziodoxole with B(C6F5)3 Enabling the Electrophilic Cyanation of Silyl Enol Ethers

The Lewis acidic activation of a hypervalent iodine reagent containing a transferable cyano group, 1-cyano-3,3-dimethyl-3-(1H)-1,2-benziodoxole (CDBX), with B(C6F5)3, to achieve the catalytic electrophilic cyanation of silyl enol ethers is presented. Mechanistic studies indicate that CDBX is activated through coordination of its cyano group to B(C6F5)3, thus enabling the electrophilic cyanation reaction to occur.