Cas no 1023595-19-8 (Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate)
![Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate structure](https://ossimg.kuujia.com/scimg/1024000/1023595-19-8x500.png)
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 9-Boc-2,9-diazaspiro[5.5]undecane
- TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE
- tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride
- 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester
- 9-diazaspiro[5.5]undecane-2-carboxylate
- tert Butyl 2
- 1-tert-butyl-2,9-diazaspiro[5.5]undecane-2-carboxylate
- 2,9-Diazaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester
- 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester
- 2,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl ester
- 2-Pyrimidinamine, 4-[2-[3-(2-furanyl)phenyl]ethyl]-6-(3-methylbutoxy)-
- tert butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
- tert-Butyl 2,9-diazaspiro[5_5]undecane-9-carboxylate xhydrochloride
- TERT-BUTYL 2,9-DIAZASPIRO [5.5]UNDECANE-9-CARBOXYLATE
- QDWTYWWOUAIWGI-UHFFFAOYSA-N
- WT1168
- RP07798
- CM10411
- SB20125
- 9-N-Boc-2,9-diazaspiro[5.5]undecane
- AM802850
- W-204452
- EN300-154325
- tert-butyl 3,8-diazaspiro[5,5]undecane-3-carboxylate
- DTXSID40677311
- 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid t-butyl ester;2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester;
- Z1762997549
- CS-D0621
- 1023595-19-8
- YQB59519
- tert-butyl 4,9-diazaspiro[5.5]undecane-9-carboxylate
- AU-004/43508157
- SCHEMBL485160
- AKOS005259435
- J-507548
- MFCD10700117
- GS-3660
- SY027032
- DB-058804
- Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
-
- MDL： MFCD22209368
- Inchi： 1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14/h15H,4-11H2,1-3H3
- InChI Key： QDWTYWWOUAIWGI-UHFFFAOYSA-N
- SMILES： O(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(N1C([H])([H])C([H])([H])C2(C([H])([H])N([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])=O
Computed Properties
- Exact Mass: 254.19900
- Monoisotopic Mass: 254.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 301
- 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
- Topological Polar Surface Area: 41.6
- XLogP3: 1.8
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.05
- Melting Point: No data available
- Boiling Point: 354.1±35.0°C at 760 mmHg
- Flash Point: No data available
- PSA: 41.57000
- LogP: 2.65380
- Vapor Pressure: No data available
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H302-H315-H319-H335
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303+H313+H333
- Storage Condition：Keep in dark place,Sealed in dry,2-8°C
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-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 2,9-diazaspiro[5.5]undecane-9-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A289000033-10g |
tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 97% | 10g |
$644.27 | 2023-09-04 | |
| TRC | B789358-50mg |
tert-Butyl 2,9-Diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B789358-100mg |
tert-Butyl 2,9-Diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 100mg |
$ 95.00 | 2022-06-06 | ||
| TRC | B789358-500mg |
tert-Butyl 2,9-Diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 500mg |
$ 320.00 | 2022-06-06 | ||
| Ambeed | A154872-1g |
9-Boc-2,9-diazaspiro[5.5]undecane |
1023595-19-8 | 97% | 1g |
$52.0 | 2025-03-01 | |
| Ambeed | A154872-5g |
9-Boc-2,9-diazaspiro[5.5]undecane |
1023595-19-8 | 97% | 5g |
$180.0 | 2025-03-01 | |
| Ambeed | A154872-10g |
9-Boc-2,9-diazaspiro[5.5]undecane |
1023595-19-8 | 97% | 10g |
$357.00 | 2022-05-17 | |
| Ambeed | A154872-25g |
9-Boc-2,9-diazaspiro[5.5]undecane |
1023595-19-8 | 97% | 25g |
$630.0 | 2025-03-01 | |
| Chemenu | CM104259-5g |
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 97% | 5g |
$282 | 2021-08-06 | |
| Chemenu | CM104259-10g |
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate |
1023595-19-8 | 97% | 10g |
$477 | 2021-08-06 |
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
Recent Advances in the Application of Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate (CAS: 1023595-19-8) in Chemical Biology and Pharmaceutical Research
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate (CAS: 1023595-19-8) is a structurally unique and versatile compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This spirocyclic scaffold has demonstrated remarkable potential as a key intermediate in the synthesis of bioactive molecules, particularly in the development of novel therapeutics targeting various diseases. Recent studies have highlighted its utility in drug discovery, with a focus on its role as a privileged structure in medicinal chemistry.
The compound's spirocyclic architecture imparts conformational rigidity, which is highly desirable in drug design as it can enhance binding affinity and selectivity towards biological targets. Recent research has explored the use of Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate as a building block for the synthesis of small molecule inhibitors, particularly in the context of kinase and protease inhibition. Its ability to serve as a scaffold for the development of modulators of protein-protein interactions has also been investigated, opening new avenues for the treatment of complex diseases such as cancer and neurodegenerative disorders.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated the successful incorporation of this compound into a series of potent and selective inhibitors of a specific kinase implicated in inflammatory diseases. The study reported that derivatives of Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate exhibited improved pharmacokinetic properties compared to their linear counterparts, with enhanced metabolic stability and oral bioavailability. These findings underscore the compound's potential as a valuable scaffold in the optimization of drug candidates.
Another significant application of this compound has been in the field of central nervous system (CNS) drug discovery. Its ability to cross the blood-brain barrier, combined with its favorable physicochemical properties, has made it an attractive starting point for the development of neuroactive compounds. Recent work has focused on modifying the scaffold to target neurotransmitter receptors, with promising results in preclinical models of depression and anxiety disorders.
The synthetic accessibility of Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate has also been a subject of recent research. Several novel synthetic routes have been developed to improve the efficiency and scalability of its production, addressing previous challenges in large-scale synthesis. These advancements have facilitated its broader application in medicinal chemistry programs across the pharmaceutical industry.
Looking forward, the unique properties of this compound continue to inspire innovative research directions. Current investigations are exploring its potential in targeted drug delivery systems, where its structural features may enable the development of more effective and selective therapeutic agents. As research progresses, Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate is expected to play an increasingly important role in the discovery and development of next-generation pharmaceuticals.
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