Cas no 223797-64-6 (tert-Butyl 1,5-diazocane-1-carboxylate)

Tert-Butyl 1,5-diazocane-1-carboxylate is a protected diazocane derivative widely used in organic synthesis and pharmaceutical research. Its key advantages include stability under various reaction conditions, facilitated by the tert-butoxycarbonyl (Boc) protecting group, which allows selective deprotection when required. The diazocane scaffold provides a versatile intermediate for constructing nitrogen-containing heterocycles, particularly in medicinal chemistry applications. The Boc group enhances solubility in common organic solvents, simplifying purification and handling. This compound is particularly valuable in the synthesis of complex molecules, where controlled reactivity and functional group compatibility are essential. Its well-defined reactivity profile makes it a reliable building block for advanced synthetic routes.
tert-Butyl 1,5-diazocane-1-carboxylate structure
223797-64-6 structure
Product Name:tert-Butyl 1,5-diazocane-1-carboxylate
CAS No:223797-64-6
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD11616045
CID:1016239
PubChem ID:11521358
Update Time:2025-11-02

tert-Butyl 1,5-diazocane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 1,5-diazocane-1-carboxylate
    • [1,5]diazocane-1-carboxylic acid tert-butyl ester
    • SB35573
    • SCHEMBL6350119
    • DTXSID00467977
    • CS-0079686
    • TERT-BUTYL1,5-DIAZOCANE-1-CARBOXYLATE
    • t-Butyl 1,5-diazocane-1-carboxylate
    • YIA79764
    • EN300-191269
    • AKOS015919119
    • BCP17591
    • DB-096862
    • 223797-64-6
    • AS-41459
    • MFCD11616045
    • MDL: MFCD11616045
    • Inchi: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-6-12-7-5-9-13/h12H,4-9H2,1-3H3
    • InChI Key: ZRKUMLHCFYSTGC-UHFFFAOYSA-N
    • SMILES: O(C(N1CCCNCCC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 214.16800
  • Monoisotopic Mass: 214.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 0.991
  • Boiling Point: 297.089°C at 760 mmHg
  • Flash Point: 133.475°C
  • Refractive Index: 1.462
  • PSA: 41.57000
  • LogP: 1.87360

tert-Butyl 1,5-diazocane-1-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on tert-Butyl 1,5-diazocane-1-carboxylate

Comprehensive Guide to tert-Butyl 1,5-diazocane-1-carboxylate (CAS No. 223797-64-6): Properties, Applications, and Market Insights

tert-Butyl 1,5-diazocane-1-carboxylate (CAS No. 223797-64-6) is a specialized organic compound widely recognized for its unique structural properties and versatility in pharmaceutical synthesis and chemical research. This compound belongs to the diazocane family, characterized by an eight-membered ring containing two nitrogen atoms, which makes it a valuable intermediate in the development of bioactive molecules. The tert-butyl carboxylate group enhances its stability and solubility, making it a preferred choice for researchers and industrial applications.

In recent years, the demand for tert-Butyl 1,5-diazocane-1-carboxylate has surged due to its role in drug discovery and medicinal chemistry. With the growing focus on small-molecule therapeutics and targeted drug delivery systems, this compound has gained attention for its potential in designing novel enzyme inhibitors and receptor modulators. Researchers are particularly interested in its applications for central nervous system (CNS) drugs and anti-inflammatory agents, aligning with the global trend toward personalized medicine.

The chemical properties of tert-Butyl 1,5-diazocane-1-carboxylate (CAS No. 223797-64-6) include a molecular weight of approximately 228.3 g/mol and a purity level typically exceeding 98%. Its boiling point and melting point are critical parameters for laboratory handling, ensuring optimal performance in reactions such as amide coupling and N-alkylation. The compound’s stability under ambient conditions and compatibility with common organic solvents like dichloromethane (DCM) and tetrahydrofuran (THF) further enhance its utility in synthetic workflows.

From an industrial perspective, tert-Butyl 1,5-diazocane-1-carboxylate is increasingly used in the production of high-value intermediates for API (Active Pharmaceutical Ingredient) manufacturing. Companies specializing in contract research organizations (CROs) and custom synthesis services often source this compound to accelerate preclinical development pipelines. Its compatibility with green chemistry principles—such as reduced waste generation and energy-efficient processes—also aligns with the sustainability goals of modern pharmaceutical industries.

Market trends indicate a rising interest in tert-Butyl 1,5-diazocane-1-carboxylate (CAS No. 223797-64-6) due to its potential in cancer research and neurodegenerative disease studies. Recent publications highlight its use in developing kinase inhibitors and G-protein-coupled receptor (GPCR) ligands, addressing key challenges in oncology and neurology. Additionally, advancements in high-throughput screening (HTS) technologies have amplified the demand for structurally diverse compounds like this one.

For laboratories and manufacturers, sourcing high-quality tert-Butyl 1,5-diazocane-1-carboxylate requires attention to certificates of analysis (CoA) and regulatory compliance. Reputable suppliers provide detailed spectroscopic data (e.g., NMR, HPLC) to verify purity and structural integrity. Storage recommendations typically include cool, dry conditions in airtight containers to prevent degradation, ensuring long-term usability for critical experiments.

In summary, tert-Butyl 1,5-diazocane-1-carboxylate (CAS No. 223797-64-6) represents a pivotal building block in modern organic synthesis and drug development. Its multifaceted applications, combined with the evolving needs of biopharmaceutical research, position it as a compound of enduring relevance. As the scientific community continues to explore its potential, this molecule is poised to play a significant role in addressing unmet medical needs and advancing innovative therapies.

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