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1-Acetylhexahydro-1H-azepine is a chemical compound with the molecular formula C8H15NO. It is a derivative of hexahydro-1H-azepine, a seven-membered cyclic amine, where one of the hydrogen atoms is replaced by an acetyl group (CH3CO-). This modification introduces a ketone functional group to the molecule, which can participate in various chemical reactions. The compound is of interest in organic chemistry and may have potential applications in the synthesis of pharmaceuticals and other organic compounds due to its unique structure and reactivity.

5809-41-6

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5809-41-6 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

Check Digit Verification of cas no

The CAS Registry Mumber 5809-41-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,0 and 9 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5809-41:
(6*5)+(5*8)+(4*0)+(3*9)+(2*4)+(1*1)=106
106 % 10 = 6
So 5809-41-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H15NO/c1-8(10)9-6-4-2-3-5-7-9/h2-7H2,1H3

5809-41-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name N-Acetylhexamethylenimine

1.2 Other means of identification

Product number -
Other names hexamethyleneacetamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5809-41-6 SDS

5809-41-6Relevant academic research and scientific papers

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

Ghosh, Santanu,Purkait, Anisha,Jana, Chandan K.

supporting information, p. 8721 - 8727 (2020/12/30)

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

Synthesis of acetamides using CO2, methanol, H2 and amines

Zhang, Jingjing,Qian, Qingli,Wang, Ying,Asare Bediako, Bernard Baffour,Cui, Meng,Yang, Guanying,Han, Buxing

supporting information, p. 233 - 237 (2019/01/28)

Herein, we report the synthesis of acetamides from CO2, methanol, H2 and corresponding amines, which is a new route used to synthesize acetamides. It was found that the Rh catalyst with LiI/LiCl as promoters could effectively catalyze this reaction. Interestingly, no ligand was required and amine substrates played a role in accelerating the reaction.

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

Golub, Tatiana,Becker, James Y.

, p. 207 - 214 (2016/05/24)

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.

Direct Preparation of Amides from Amine Hydrochloride Salts and Orthoesters: A Synthetic and Mechanistic Perspective

Di Grandi, Martin J.,Bennett, Caitlin,Cagino, Kristen,Muccini, Arnold,Suraci, Corey,Saba, Shahrokh

supporting information, p. 2601 - 2607 (2015/11/28)

The conversion of a wide range of primary and secondary aliphatic and a few arylamine hydrochloride salts to their corresponding acetamides with trimethyl orthoacetate is described. Mechanistic studies using NMR and gas chromatography-mass spectrometry techniques indicate these reactions proceed via an O-methylimidate intermediate that undergoes in situ demethylation by chloride, affording the corresponding acetamides. Synthetically, this reaction represents a practical, high-yielding protocol with a simple workup for the rapid conversion of amine hydrochloride salts to acetamides.

INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS

-

Page/Page column 28, (2014/01/18)

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.

Indene derivatives, their preparation and use as medicaments

-

Paragraph 0093-0095, (2014/01/18)

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.

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