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

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 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: GHS07 Warning
• Risk Statements: H315-H319-H335
• Safety 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

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2A	H319
Skin irritation	Skin Irrit.	2	H315

Discovery and Applications

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.

References

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