134050-77-4

Basic information

• Product Name: 1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)
• Synonyms: 1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)
• CAS NO: 134050-77-4
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.13538
• Product Categories: CARBOXYLICACID
• Mol File: 134050-77-4.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)(134050-77-4)
• EPA Substance Registry System: 1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)(134050-77-4)

Safety Data

• Hazardous Substances Data: 134050-77-4(Hazardous Substances Data)

Usage

Synthesis

The mixture of 350 mg (2.2 mmol) of 2- azidobenzoic acid in 12 mL of acetonitrile and 30 mL of water was irradiated for 24 h. ?The reaction mixture was evaporated to dryness and 2-oxo-3-carboxy-3H-azepin was ?isolated by preparative column chromatography on silica gel with a mixture of ?acetone/ethanol (1:1, v/v) with 50% yield as pale yellow crystals. 1H NMR (400 MHz, ?CDCl3) δ 8.35 (s, 1H), 6.31 – 6.17 (m, 2H), 5.93 (ddd, J = 14.1, 9.2, 5.5 Hz, 2H), 3.53 ?(dd, J = 5.8, 1.6 Hz, 1H). 13C NMR (101 MHz, CDCl3) δ 168.9, 164.6, 126.8, 125.5, ?121.3, 114.8, 52.9, 52.8; IR (suspension in nujol oil, cm-1 ): 3198 cм-1 (νs NH); 1714 ?cм-1 (νs С=O carboxyl group); 1658 cм-1 (νs C=O amide)

Upstream product

• 31162-13-7 2-azidobenzoic acid 

Relevant articles and documents

Effect of water on product yields of 2-azidobenzoic acid photolysis in aprotic solvents

The effect of water admixtures on the formation of 2-oxo-(3H)-azepine-3- carboxylic acid and 2,1-benzisoxazol-3(1H)-one in the photolysis of 2-azidobenzoic acid in aprotic solvents has been investigated. It has been shown that the addition of nucleophilic

Effect of an External Heavy Atom on the Product Yield of Photoinduced Heterocyclization of 2-Azidobenzoic Acid

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Continuous flow photolysis of aryl azides: Preparation of 3H-azepinones

Photolysis of aryl azides to give nitrenes, and their subsequent rearrangement in the presence of water to give 3H-azepinones, is performed in continuous flow in a photoreactor constructed of fluorinated ethylene polymer (FEP) tubing. Fine tuning of the reaction conditions using the flow reactor allowed minimization of secondary photochemical reactions.