16490-89-4

Basic information

• Product Name: 1H-Azepine-1-propanoicacid, hexahydro-, methyl ester
• Synonyms: 1H-Azepine-1-propanoicacid, hexahydro-, methyl ester
• CAS NO: 16490-89-4
• Molecular Formula: C10H19NO2
• Molecular Weight: 185.27
• Mol File: 16490-89-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 261.2°C at 760 mmHg
• Flash Point: 93.9°C
• Appearance: /
• Density: 0.978g/cm³
• Vapor Pressure: 0.0117mmHg at 25°C
• Refractive Index: 1.457
• CAS DataBase Reference: 1H-Azepine-1-propanoicacid, hexahydro-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Azepine-1-propanoicacid, hexahydro-, methyl ester(16490-89-4)
• EPA Substance Registry System: 1H-Azepine-1-propanoicacid, hexahydro-, methyl ester(16490-89-4)

Safety Data

• Hazardous Substances Data: 16490-89-4(Hazardous Substances Data)

Usage

Type of compound

Methyl ester of azepine-1-propanoic acid

Structure

Saturated heterocyclic ring with seven carbon atoms and one nitrogen atom

Usage

Building block for the synthesis of pharmaceuticals and organic compounds, production of flavors and fragrances

Hazard

Can cause skin and eye irritation

InChI:InChI=1/C10H19NO2/c1-13-10(12)6-9-11-7-4-2-3-5-8-11/h2-9H2,1H3

Upstream product

• 111-49-9 hexamethylene imine 
• 292638-85-8 acrylic acid methyl ester 

Relevant articles and documents

THE ELECTROCHEMICAL FLUORINATION OF NITROGEN-CONTAINING CARBOXYLIC ACIDS. FLUORINATION OF METHYL ESTERS OF CYCLIC AMINOGROUP SUBSTITUTED CARBOXYLIC ACIDS

Nine methyl esters of cyclic amino-group substituted carboxylic acids related to glycine, alanine or β-alanine were subjected to electrochemical fluorination.This afforded the corresponding perfluoroacid fluorides together with cleavage products in fair yields.As cyclic amino-substituents, pyrrolidino-, morpholino-, piperidino-, hexamethyleneimino- and N'-methylpiperazinyl-groups were investigated.The formation of cyclized by-products was not observed, which contrasts with the fluorination of aliphatic dialkylamino-substituted carboxylic acids.From such methyl 2-cyclic amino-propionates (cyclic amino-group: a pyrrolidino, a morpholino or a piperidino-group), the perfluorinated methyl esters were obtained together with the corresponding perfluoroacid fluorides in yields of 1-2percent and 14-29percent, respectively.The formation of the former compounds is ascribed to the blocking effect of the bulky cyclic amino-groups.The physical properties of the new compounds obtained are reported together with their spectral (19F NMR, Mass and IR) data.