5809-41-6

Basic information

• Product Name: 1-Acetylhexahydro-1H-azepine
• Synonyms: 1-Acetylhexahydro-1H-azepine
• CAS NO: 5809-41-6
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.2108
• Mol File: 5809-41-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 251.3°Cat760mmHg
• Flash Point: 105.9°C
• Appearance: /
• Density: 0.963g/cm³
• Vapor Pressure: 0.0207mmHg at 25°C
• Refractive Index: 1.464
• CAS DataBase Reference: 1-Acetylhexahydro-1H-azepine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Acetylhexahydro-1H-azepine(5809-41-6)
• EPA Substance Registry System: 1-Acetylhexahydro-1H-azepine(5809-41-6)

Safety Data

• Hazardous Substances Data: 5809-41-6(Hazardous Substances Data)

Usage

Abbreviation

AHHA

Type of compound

Chemical compound

Structure

Cyclic amine

Usage

Precursor in the synthesis of pharmaceuticals and other organic compounds

Investigation

Potential biological and pharmacological properties

Central nervous system

Ability to modulate

Ring size

Six-membered ring compound

Functional group

Acetyl functional group

Reactivity

Unique reactivity

Role in organic synthesis

Valuable building block

Versatility

High versatility

Importance

Important compound in the field of chemistry and pharmaceutical research

InChI:InChI=1/C8H15NO/c1-8(10)9-6-4-2-3-5-7-9/h2-7H2,1H3

Upstream product

• 111-49-9 hexamethylene imine 
• 108-24-7 acetic anhydride 
• 2033-24-1 cycl-isopropylidene malonate 
• 67-56-1 methanol 
• 124-38-9 carbon dioxide 
• 1445-45-0 Trimethyl orthoacetate 
• 2088-78-0 azepane hydrochloride 
• 75-36-5 acetyl chloride 

Downstream Products

• 27845-73-4 (E)-1-(azepan-1-yl)-3-phenylprop-2-en-1-one 
• 159097-42-4 2-(3,5-Dibromo-2-methoxyphenyl)-5-[1-(1-hexahydroazepinyl)-ethyl]-1H-pyrrole hydrochloride 
• 130609-75-5 1-(2-Ethynyl-azepan-1-yl)-ethanone 
• 1888-91-1 N-acetylcaprolactam 
• 112-14-1 n-octyl acetate 

Relevant articles and documents

Environmentally benign decarboxylative: N-, O-, and S-Acetylations and acylations

An operationally simple and general method for acetylation and acylation of a wide variety of substrates (amines, alcohols, phenols, thiols, and hydrazones) has been reported. Meldrum's acid and its derivatives have been used as an air-stable, non-volatile, cost-effective, and easy to handle acetylating/acylating agent. Easily separable byproducts (CO2 and acetone) allowed the isolation of analytically pure acetylated products without the requirement of work-up and any chromatography. This journal is

The Effect of Ring-Size on the Anodic Oxidation of 'Cyclic Amides' in Methanol

The anodic oxidation of three 'cyclic amides' of type N-acylazacycloalkanes [5- (I), 6- (II) and 7-membered (III) rings] has been studied in methanol under constant current electrolysis, at C anodes and in the presence of various supporting electrolytes, and different concentrations of substrates. Four major products were formed in good yields by all three substrates, namely N-acyl, α-azacycloalkenes, N-acyl, α-methoxyazacycloalkanes, N-acyl, α-methoxy, α'-azacycloalkenes and N-acyl, α,α′-dimethoxyazacycloalkanes. The relative ratios among products and selectivity were found to be highly dependent on the nature of the electrolyte used, and to a lesser extent on substrate concentration. In terms of ring-size effect it was found that the rate of oxidation and current efficiency (yield) was in the order: I > II > III. Also the latter two behaved similarly (but different from I) when various supporting electrolytes were used.

INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS

The present invention relates to new indene derivatives having a great affinity for sigma receptors, especially sigma-1 receptors, as well as to the process for the preparation thereof, to compositions comprising them, and to their use as medicaments.