42970-55-8

Basic information

• Product Name: 3-Phenyl-2H-azirine-2-carboxaldehyd
• Synonyms: 3-Phenyl-2H-azirine-2-carboxaldehyd;2H-Azirine-2-carboxaldehyde, 3-phenyl- (9CI);2-Phenyl-3H-azirine-3-carbaldehyde;3-Phenyl-2H-azirine-2-carbaldehyde;3-phenyl-2H-azirene-2-carbaldehyde
• CAS NO: 42970-55-8
• Molecular Formula: C₉H₇NO
• Molecular Weight: 145.15798
• Product Categories: ALDEHYDE
• Mol File: 42970-55-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 45-47 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 258.3°C at 760 mmHg
• Flash Point: 102.9°C
• Appearance: /
• Density: 1.18g/cm³
• Vapor Pressure: 0.0138mmHg at 25°C
• Refractive Index: 1.617
• PKA: 2.05±0.40(Predicted)
• CAS DataBase Reference: 3-Phenyl-2H-azirine-2-carboxaldehyd(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Phenyl-2H-azirine-2-carboxaldehyd(42970-55-8)
• EPA Substance Registry System: 3-Phenyl-2H-azirine-2-carboxaldehyd(42970-55-8)

Safety Data

• Hazardous Substances Data: 42970-55-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 97, p. 4682, 1975 DOI: 10.1021/ja00849a034Organic Syntheses, Coll. Vol. 6, p. 893, 1988

InChI:InChI=1/C9H7NO/c11-6-8-9(10-8)7-4-2-1-3-5-7/h1-6,8H

Upstream product

• 192370-01-7 (Z)-3-azido-3-phenylprop-2-en-1-ol 
• 14804-59-2 (Z)-β-bromocinnamaldehyde 
• 33603-87-1 (Z)-3-chloro-3-phenyl-2-propenal 
• 4407-36-7 (2E)-3-phenyl-2-propen-1-ol 
• 36808-12-5 rac-(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol 

Downstream Products

• 20662-89-9 4-phenyl-1,3-oxazole 
• 1433997-75-1 dimethyl 4-phenyl-2H-1,3-oxazine-2,2-dicarboxylate 
• 33831-72-0 ethyl 3-amino-3-phenylprop-2-enoate 
• 63637-54-7 (E)-N-(4-methoxyphenyl)-1-(3-phenyl-2H-azirin-2-yl)methanimine 

Relevant articles and documents

Carbene-Catalyzed [4 + 2] Annulation of 2 H-Azirine-2-carboxaldehydes with Ketones via Azolium Aza-Dienolate Intermediate

A new carbene-catalyzed [4 + 2] annulation of 2H-azirine-2-carbaldehydes with ketones was developed, thus providing the 2,3-dihydro-6H-1,3-oxazin-6-one core structures with broad scope and good to excellent yields. Notably, the azolium aza-dienolates gene

A simple approach to azirines containing an aldehyde functionality and their stabilization as palladium(II) complexes

A simple and useful method for the synthesis of azirines containing an aldehyde functionality, from open chain bromo/chloro-aldehydes at room temperature and their stabilization as palladium(II) complexes are reported.