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Hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride (1:1)
[CAS# 1383132-15-7]

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Identification
Classification Organic raw materials >> Carboxylic compounds and derivatives >> Salt of carboxylic acid ester and its derivatives
Name Hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride (1:1)
Synonyms methyl azepane-4-carboxylate hydrochloride
Molecular Structure CAS # 1383132-15-7, Hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride (1:1), methyl azepane-4-carboxylate hydrochloride
Molecular Formula C8H15NO2.HCl
Molecular Weight 193.67
CAS Registry Number 1383132-15-7
EC Number 867-207-3
SMILES COC(=O)C1CCCNCC1.Cl
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H315-H319-H335    Details
Precautionary Statements P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501    Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Specific target organ toxicity - single exposureSTOT SE3H335
Eye irritationEye Irrit.2AH319
Skin irritationSkin Irrit.2H315
SDS Available
up Discovory and Applicatios
Hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride is an intriguing compound within the field of organic chemistry, characterized by a saturated azepine ring and a carboxylic acid derivative. This compound, with the molecular formula C8H14ClN O2, has garnered attention due to its potential applications in medicinal chemistry and material science.

The discovery of hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride is rooted in the exploration of cyclic amines and their derivatives. Azepines are seven-membered heterocyclic compounds that exhibit unique properties, making them valuable in drug development. The specific structure of this compound combines the stability of the saturated azepine ring with the reactivity of a carboxylic acid, offering diverse functionalization possibilities. Researchers have been focused on synthesizing various azepine derivatives to study their biological activities and potential therapeutic applications.

One of the primary applications of hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride lies in medicinal chemistry, particularly in the development of pharmaceuticals. The azepine scaffold is known to exhibit various biological activities, including antibacterial, antiviral, and anti-inflammatory properties. The introduction of the carboxylic acid moiety enhances the compound's solubility and bioavailability, making it an attractive candidate for drug formulation. Researchers have investigated its potential as a lead compound for developing new medications targeting a range of diseases, including neurodegenerative disorders and infections.

Additionally, the compound serves as a valuable intermediate in organic synthesis. Its reactivity allows for the introduction of various functional groups, which can lead to the creation of more complex molecules. This synthetic versatility is particularly advantageous in the pharmaceutical industry, where the ability to modify chemical structures can lead to the discovery of novel drug candidates. The methyl ester group can be hydrolyzed to produce the corresponding carboxylic acid, further expanding its utility in synthetic pathways.

Moreover, hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride has potential applications in materials science. The azepine ring structure provides a foundation for developing advanced materials, such as polymers and coatings. The compound's ability to undergo various chemical modifications can be harnessed to tailor material properties, including thermal stability and mechanical strength. Researchers are exploring its incorporation into polymeric systems to enhance their performance in specific applications, such as adhesives and sealants.

In summary, hexahydro-1H-azepine-4-carboxylic acid methyl ester hydrochloride is a significant compound with promising applications in both medicinal chemistry and materials science. Its unique structure, combined with its reactivity, positions it as a valuable building block for the synthesis of bioactive molecules and advanced materials. Ongoing research is expected to uncover further applications and enhance our understanding of this versatile compound.
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