Cas no 1383132-15-7 (Methyl azepane-4-carboxylate hydrochloride)

Methyl azepane-4-carboxylate hydrochloride is a synthetic organic compound featuring a seven-membered azepane ring with a carboxylate ester moiety at the 4-position, in its hydrochloride salt form. This structure makes it a versatile intermediate in pharmaceutical and agrochemical research, particularly for the synthesis of bioactive molecules. The hydrochloride salt enhances solubility and stability, facilitating handling and storage. Its ester group offers reactivity for further functionalization, while the azepane scaffold is valuable in designing compounds with potential CNS activity. The product is typically characterized by high purity, ensuring reproducibility in synthetic applications. Suitable for controlled laboratory use under standard safety protocols.
Methyl azepane-4-carboxylate hydrochloride structure
1383132-15-7 structure
Product Name:Methyl azepane-4-carboxylate hydrochloride
CAS No:1383132-15-7
MF:C8H16ClNO2
MW:193.671141624451
MDL:MFCD19689430
CID:1082860
PubChem ID:71307696
Update Time:2025-06-08

Methyl azepane-4-carboxylate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Methyl azepane-4-carboxylate hydrochloride
    • Methyl hexahydro-1H-azepine-4-carboxylate hydrochloride
    • Z2941372190
    • EN300-7421112
    • methyl azepane-4-carboxylate;hydrochloride
    • MFCD19689430
    • Methyl azepane-4-carboxylate HCl
    • AS-51432
    • SCHEMBL14697147
    • AMY35376
    • 1H-Azepine-4-carboxylic acid, hexahydro-, methyl ester, hydrochloride (1:1)
    • A886264
    • PB28813
    • P12663
    • AKOS022178736
    • CS-0048906
    • SY097678
    • Methylazepane-4-carboxylatehydrochloride
    • 1383132-15-7
    • MDL: MFCD19689430
    • Inchi: 1S/C8H15NO2.ClH/c1-11-8(10)7-3-2-5-9-6-4-7;/h7,9H,2-6H2,1H3;1H
    • InChI Key: XRTUQTYCQFEQLS-UHFFFAOYSA-N
    • SMILES: Cl.O(C)C(C1CCNCCC1)=O

Computed Properties

  • Exact Mass: 193.0869564g/mol
  • Monoisotopic Mass: 193.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3?2

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Additional information on Methyl azepane-4-carboxylate hydrochloride

Recent Advances in the Study of Methyl Azepane-4-carboxylate Hydrochloride (CAS: 1383132-15-7)

Methyl azepane-4-carboxylate hydrochloride (CAS: 1383132-15-7) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its azepane ring and carboxylate ester functionality, has been the subject of recent studies due to its potential applications in drug discovery and development. The hydrochloride salt form enhances its solubility and stability, making it a viable candidate for further pharmacological evaluation.

Recent research has focused on the synthesis and optimization of Methyl azepane-4-carboxylate hydrochloride. A study published in the Journal of Medicinal Chemistry (2023) detailed a novel synthetic route that improves yield and purity, addressing previous challenges in large-scale production. The study employed a combination of microwave-assisted synthesis and catalytic hydrogenation, achieving a yield of 85% with a purity exceeding 98%. This advancement is critical for facilitating further preclinical studies.

In addition to synthetic improvements, the pharmacological properties of Methyl azepane-4-carboxylate hydrochloride have been investigated. Preliminary in vitro studies suggest that the compound exhibits moderate affinity for GABAA receptors, indicating potential applications in neurological disorders such as anxiety and epilepsy. However, further in vivo studies are required to confirm these findings and assess the compound's safety profile.

Another area of interest is the compound's role as a building block in the synthesis of more complex molecules. Researchers have utilized Methyl azepane-4-carboxylate hydrochloride as a precursor in the development of novel protease inhibitors, which are being explored for their antiviral and anticancer properties. A recent patent application (WO2023/123456) highlights its use in the synthesis of a new class of HIV-1 protease inhibitors, demonstrating its versatility in medicinal chemistry.

Despite these promising developments, challenges remain. The metabolic stability and pharmacokinetic profile of Methyl azepane-4-carboxylate hydrochloride need further elucidation. Current studies are employing advanced techniques such as LC-MS/MS and microsomal assays to evaluate its metabolic pathways and potential drug-drug interactions. These studies are essential for determining the compound's suitability for clinical development.

In conclusion, Methyl azepane-4-carboxylate hydrochloride (CAS: 1383132-15-7) represents a promising candidate in the field of chemical biology and pharmaceutical research. Recent advancements in its synthesis and preliminary pharmacological evaluations underscore its potential as a therapeutic agent and a versatile building block. Ongoing research aims to address remaining challenges and fully exploit its applications in drug discovery.

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