135737-14-3

Basic information

• Product Name: Benzeneacetonitrile, 2-formyl- (9CI)
• Synonyms: Benzeneacetonitrile, 2-formyl- (9CI);2-Formylphenylacetonitrile;2-(2-ForMylphenyl)acetonitrile
• CAS NO: 135737-14-3
• Molecular Formula: C₉H₇NO
• Molecular Weight: 145.15798
• Product Categories: ALDEHYDE
• Mol File: 135737-14-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 293.7±15.0 °C(Predicted)
• Appearance: /
• Density: 1.140±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Benzeneacetonitrile, 2-formyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetonitrile, 2-formyl- (9CI)(135737-14-3)
• EPA Substance Registry System: Benzeneacetonitrile, 2-formyl- (9CI)(135737-14-3)

Safety Data

• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 135737-14-3(Hazardous Substances Data)

Usage

General Description

Benzeneacetonitrile, 2-formyl- (9CI) is a chemical compound classified under the 9th Collective Index (9CI), a system used to identify specific compounds in the field of chemistry. It is also known as 2-formylbenzeneacetonitrile and alpha-formylphenylacetonitrile. Benzeneacetonitrile, 2-formyl- (9CI) is utilized in various chemical reactions and syntheses due to its specific structural properties. However, details on its specific uses, properties, and safety precautions can only be discerned from relevant scientific literature or Material Safety Data Sheets.

Upstream product

• 138783-93-4 Se-phenyl 2-(cyanomethyl)benzenecarboselenoate 
• 100-52-7 benzaldehyde 
• 95-13-6 1-indene 
• 135762-90-2 α-[(cyanomethyl)methylamino]benzeneacetonitrile 
• 135737-08-5 2-cyanomethyl-α-(dimethylamino)phenylacetonitrile 
• 135737-00-7 N-(α-cyanobenzyl)-N-(cyanomethyl)-N,N-dimethylammonium methyl sulfate 
• 656807-25-9 2-(2-vinylphenyl)acetonitrile 

Downstream Products

• 171861-54-4 3-(N,N-dimethylamino)isoquinoline 
• 1383549-86-7 3-(4-fluorophenyl)isoquinoline 
• 25475-67-6 isoquinolin-3-amine 

Relevant articles and documents

Erratum: TEMPO-catalyzed aerobic oxygenation and nitrogenation of olefins via C=C double-bond cleavage (Journal of the American Chemical Society ((2013) 135 (11692-11695))

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A continuous flow solution to achieving efficient aerobic anti-Markovnikov Wacker oxidation

An aerobic anti-Markovnikov Wacker oxidation for the flow-synthesis of arylacetaldehydes is reported. In the process, flow chemistry techniques have provided a means to control and minimise the over-oxidation of sensitive products. The reaction showed general applicability to various functionalised styrenes and provided a process capable of a multi-gram scale. Copyright

Acyl Radicals: Intermolecular and Intramolecular Alkene Addition Reactions

A full study of the use of phenyl selenoesters as precursors to acyl radicals and their subsequent participation in intermolecular and intramolecular alkene addition reactions is detailed.Primary alkyl-, vinyl-, and arylsubstituted acyl radicals generated by Bu3SnH treatment of the corresponding phenyl selenoesters participate cleanly in intermolecular addition reactions with alkenes bearing electron-withdrawing or radical-stabilizing substituents at rates that exceed those of the potentially competitive decarbonylation or reduction.Similarly, their intramolecular addition to activated or unactivated alkenes proceeds without significant competitive reduction or decarbonylation and at rates generally >/= 1 x 106 s-1 with some occuring at rates >/= 3 x 107 s-1.Consistent with their behavior in intermolecular addition reactions, the 5-exo-trig cyclizations of secondary and tertiary alkyl-substituted acyl radicals to an unactivated olefin acceptor may be accompanied by varying degrees of decarbonylation, even under low-temperature free-radical conditions.Studies are presented which suggest that the intramolecular additions of acyl radicals to alkenes under the conditions detailed herein may be regarded as irreversible, kinetically controlled processes which exhibit regioselectivity that is predictable based on well-established empirical rules set forth for the analogous free-radical cyclization reactions of alkyl radicals.