Cas no 223797-64-6 (tert-Butyl 1,5-diazocane-1-carboxylate)
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:
2933990090Overview:
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%
tert-Butyl 1,5-diazocane-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 65R0564-1g |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 97% | 1g |
8463.46CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 65R0564-5g |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 97% | 5g |
33904.74CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 65R0564-500mg |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 97% | 500mg |
4655.75CNY | 2021-05-08 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | XD02733-1g |
TERT-BUTYL 1,5-DIAZOCANE-1-CARBOXYLATE |
223797-64-6 | 95% | 1g |
$800 | 2023-09-07 | |
| Chemenu | CM308310-1g |
tert-Butyl 1,5-diazocane-1-carboxylate |
223797-64-6 | 95% | 1g |
$1117 | 2021-06-09 | |
| Chemenu | CM308310-1g |
tert-Butyl 1,5-diazocane-1-carboxylate |
223797-64-6 | 95% | 1g |
$1117 | 2022-06-11 | |
| eNovation Chemicals LLC | Y1003001-1g |
tert-Butyl 1,5-diazocane-1-carboxylate |
223797-64-6 | 95% | 1g |
$735 | 2024-07-24 | |
| eNovation Chemicals LLC | Y1130971-500mg |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 95% | 500mg |
$610 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1130971-1g |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 95% | 1g |
$1115 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1130971-5g |
[1,5]Diazocane-1-carboxylic acid tert-butyl ester |
223797-64-6 | 95% | 5g |
$4475 | 2024-07-28 |
tert-Butyl 1,5-diazocane-1-carboxylate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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