1985-48-4

Basic information

• Product Name: 7-Methylhexahydro-1H-azepine-2-one
• Synonyms: 7-Methylhexahydro-1H-azepine-2-one;Hexahydro-7-methyl-2H-azepin-2-one
• CAS NO: 1985-48-4
• Molecular Formula: C7H13NO
• Molecular Weight: 127.19
• Mol File: 1985-48-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: 49-51 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
• Boiling Point: 269.3°Cat760mmHg
• Flash Point: 150.7°C
• Appearance: /
• Density: 0.93g/cm³
• Vapor Pressure: 0.00733mmHg at 25°C
• Refractive Index: 1.437
• PKA: 16.67±0.40(Predicted)
• CAS DataBase Reference: 7-Methylhexahydro-1H-azepine-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Methylhexahydro-1H-azepine-2-one(1985-48-4)
• EPA Substance Registry System: 7-Methylhexahydro-1H-azepine-2-one(1985-48-4)

Safety Data

• Hazardous Substances Data: 1985-48-4(Hazardous Substances Data)

Usage

General Description

7-Methylhexahydro-1H-azepine-2-one, also known by its trade name "Carvenone," is a chemical compound belonging to the class of organic compounds known as azepanes and derivatives. It is a colorless to light yellow liquid with a fruity and spicy odor. 7-Methylhexahydro-1H-azepine-2-one is primarily used in the fragrance and flavor industry as a key ingredient in perfumes and cosmetics. It is valued for its pleasant scent and is often used to enhance the aroma of various consumer products. Additionally, it has been identified as a potential inhibitor of histone deacetylase, making it a compound of interest in the field of medicinal chemistry for potential therapeutic applications.

InChI:InChI=1/C7H13NO/c1-6-4-2-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)

Upstream product

• 1122-26-5 2-methylcyclohexanone oxime 
• 54572-28-0 6-aminoheptanoic acid 
• 583-60-8 2-Methylcyclohexanone 
• 55917-06-1 1,2-dimethylhexahydro-2H-azepin-7-one 
• 128957-76-6 6-[(Z)-Hydroxyimino]-heptanoic acid methyl ester 
• 74221-92-4 hexahydro-1-hydroxy-7-methyl-2H-azepin-2-one 
• 19684-34-5 2-methylcyclohexanone oxime acetate 
• 3128-07-2 6-oxoheptanoic acid 
• 32179-89-8 2-methylcyclohexanone anti-oxime 

Downstream Products

• 55917-04-9 N-benzyl-7-methylazepan-2-one 

Relevant articles and documents

A Fit-for-Purpose Synthesis of (R)-2-Methylazepane

The preparation of new RSV inhibitors required an efficient synthesis of (R)-2-methylazepane ((R)-1) amenable to large-scale production to support preclinical studies. After consideration of different options, an efficient five-step synthesis relying on t

A Facile Direct Route to N-(Un)substituted Lactams by Cycloamination of Oxocarboxylic Acids without External Hydrogen

Lactams are privileged in bioactive natural products and pharmaceutical agents and widely featured in functional materials. This study presents a novel versatile approach to the direct synthesis of lactams from oxocarboxylic acids without catalyst or external hydrogen. The method involves the in situ release of formic acid from formamides induced by water to facilitate efficient cycloamination. Water also suppresses the formation of byproducts. This unconventional pathway is elucidated by a combination of model experiments and density functional theory calculations, whereby cyclic imines (5-methyl-3,4-dihydro-2-pyrrolone and its tautomeric structures) are found to be favorable intermediates toward lactam formation, in contrast to the conventional approach encompassing cascade reductive amination and cyclization. This sustainable and simple protocol is broadly applicable for the efficient production of various N-unsubstituted and N-substituted lactams.

DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS

The present invention is directed to disubstituted azepan and oxazepan amide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin re