Cas no 1049743-87-4 (tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride)

tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride structure
1049743-87-4 structure
Product Name:tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride
CAS No:1049743-87-4
MF:C10H21ClN2O2
MW:236.738941907883
MDL:MFCD07781257
CID:1082061
Update Time:2025-07-19

tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride
    • N-Boc Homo-Piperazines
    • 1-BOC-HOMOPIPERAZINE HCL
    • 1-Boc-Homopiperazine hydrochloride
    • [1,4]Diazepane-1-carboxylic acid tert-butyl ester hydrochloride
    • Hexahydro-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester hydrochloride
    • BOC-HOMOPIZ HCL
    • BOC-HOMOPIPERAZINE HCL
    • BOC-HOMOPIPERAZINE HYDROCHLORIDE
    • 1-BOC-1,4-DIAZEPANE HYDROCHLORIDE
    • N-T-BUTOXYCARBONYL-HOMOPIRERAZINE HYDROCHLORIDE
    • MDL: MFCD07781257
    • Inchi: 1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12;/h11H,4-8H2,1-3H3;1H
    • InChI Key: OHBGTHHJAGXLKQ-UHFFFAOYSA-N
    • SMILES: Cl.O(C(N1CCNCCC1)=O)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3

tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride Pricemore >>

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Additional information on tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride

Recent Advances in the Study of tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride (CAS: 1049743-87-4)

The compound tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride (CAS: 1049743-87-4) has garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications as a key intermediate in the synthesis of bioactive molecules. Recent studies have focused on its role in the development of novel therapeutic agents, particularly in the areas of central nervous system (CNS) disorders and oncology. This research brief aims to summarize the latest findings, methodologies, and potential implications of this compound in drug discovery and development.

One of the most notable advancements in the study of tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride is its application in the synthesis of diazepane-based scaffolds, which are critical for the design of G-protein-coupled receptor (GPCR) modulators. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's utility in the efficient synthesis of selective serotonin receptor agonists, highlighting its potential for treating depression and anxiety disorders. The study employed a combination of solid-phase synthesis and high-throughput screening to optimize the pharmacological properties of the derived compounds.

In addition to its CNS applications, recent research has explored the anticancer potential of derivatives synthesized from tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride. A team of researchers from the University of Cambridge reported in Bioorganic & Medicinal Chemistry Letters that modifications to the diazepane ring structure resulted in compounds with potent inhibitory effects on histone deacetylases (HDACs), a promising target for cancer therapy. The study utilized molecular docking simulations and in vitro assays to validate the efficacy and selectivity of these derivatives.

Another significant development involves the use of tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride in the development of prodrugs with improved bioavailability. A 2022 study in the European Journal of Pharmaceutical Sciences detailed the synthesis of a prodrug series designed to enhance the delivery of poorly soluble active pharmaceutical ingredients (APIs). The researchers employed a combination of NMR spectroscopy and pharmacokinetic studies to demonstrate the enhanced stability and absorption profiles of the prodrugs.

Despite these promising findings, challenges remain in the large-scale production and clinical translation of compounds derived from tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride. Issues such as regioselectivity in chemical modifications and the need for greener synthetic methodologies were highlighted in a recent review published in ACS Sustainable Chemistry & Engineering. The review called for increased collaboration between academia and industry to address these challenges and accelerate the development of diazepane-based therapeutics.

In conclusion, tert-Butyl 1,4-diazepane-1-carboxylate hydrochloride continues to be a valuable building block in medicinal chemistry, with recent research underscoring its potential in diverse therapeutic areas. Future studies are expected to focus on optimizing synthetic routes, exploring new biological targets, and advancing preclinical candidates into clinical trials. The compound's versatility and the growing body of evidence supporting its applications make it a focal point for ongoing and future research efforts in the chemical biology and pharmaceutical sectors.

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