221360-86-7

Basic information

• Product Name: 4-(5-Oxo-[1,4]diazepan-1-yl)benzoic acid
• Synonyms: 4-(5-Oxo-[1,4]diazepan-1-yl)benzoic acid
• CAS NO: 221360-86-7
• Molecular Formula: C₁₂H₁₄N₂O₃
• Molecular Weight: 0
• Product Categories: pharmacetical
• Mol File: 221360-86-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 546.6°Cat760mmHg
• Flash Point: 284.4°C
• Appearance: /
• Density: 1.269g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: 4-(5-Oxo-[1,4]diazepan-1-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(5-Oxo-[1,4]diazepan-1-yl)benzoic acid(221360-86-7)
• EPA Substance Registry System: 4-(5-Oxo-[1,4]diazepan-1-yl)benzoic acid(221360-86-7)

Safety Data

• Hazardous Substances Data: 221360-86-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H14N2O3/c15-11-5-7-14(8-6-13-11)10-3-1-9(2-4-10)12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17)

Upstream product

• 175153-03-4 4-[(2-oxo-piperidine)-1-yl]benzoic acid 
• 655-32-3 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone 

Downstream Products

• 221360-87-8 (S)-N-[5-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(hexahydro-1,4-diazepin-5-on-1-yl)benzamide 

Relevant articles and documents

A practical method for the preparation of 4-nitrogen-substituted benzoic acids

An efficient and practical method for the preparation of 4-nitrogen-substituted benzoic acids is described. Our method consists of the aromatic substitution of 2,2,2,4′-tetrafluoroacetophenone with amines, followed by haloform reaction to the benzoic acids. In this method, even though for the less nucleophilic 7-, 8-, and 9-membered amines 1 equiv. was used, corresponding benzoic acids were obtained in moderate to excellent yield. As the experimental procedure including purification is simple, this method is applicable to large-scale syntheses. Copyright