Cas no 268550-48-7 (tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate)
tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
- 8-Boc-2,8-diazaspiro[4.5]decan-1-one
- QC-9805
- 1-Oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
- 1-Oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid 1,1-dimethylethyl ester
- 1-BOC-4-SPIRO-[3-(2-PYRROLIDINONE)] PIPERIDINE
- 8-Boc-1-oxo-2,8-diaza-spiro[4.5]decane
- 8-boc-2,8-diaza-spiro-[4.5]decan-1-one
- ADPIEGXXCABJCH-UHFFFAOYSA-N
- AKOS005146388
- SY034309
- SCHEMBL2338577
- PB26379
- 1-oxo-2,8-diaza-spiro[4.5]decane-8-carboxylic acid-tert-butyl ester
- 1-oxo-2,8-diaza-spiro[4,5]decane-8-carboxylic acid tert-butyl ester
- 8-BOC-1-OXO-2,8-DIAZASPIRO[4.5]DECANE
- FT-0709745
- BCP00829
- 2,8-Diazaspiro[4.5]decane-8-carboxylic acid,1-oxo-,1,1-dimethylEthyl ester
- BB 0261896
- 1-OXO-2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
- 1-Boc-4-spiro-[3-(2-pyrrolidinone)]piperidine
- DTXSID90662858
- MFCD08461248
- AC-30849
- AM20090331
- tert-butyl1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
- CS-D0624
- J-524397
- EN300-153818
- DS-14465
- 268550-48-7
- A15435
- DB-026895
-
- MDL: MFCD08461248
- Inchi: 1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16/h4-9H2,1-3H3,(H,14,16)
- InChI Key: ADPIEGXXCABJCH-UHFFFAOYSA-N
- SMILES: O=C1C2(CCN1)CCN(C(=O)OC(C)(C)C)CC2
Computed Properties
- Exact Mass: 254.16300
- Monoisotopic Mass: 254.16304257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 352
- 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: 0.8
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- Density: 1.15
- Boiling Point: 424.9±38.0°C at 760 mmHg
- PSA: 58.64000
- LogP: 1.79030
tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- HazardClass:IRRITANT
- Storage Condition:Sealed in dry,2-8°C
tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-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-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A289000018-5g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 97% | 5g |
$288.15 | 2023-09-02 | |
| Alichem | A289000018-10g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 97% | 10g |
$468.30 | 2023-09-02 | |
| Alichem | A289000018-25g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 97% | 25g |
$951.00 | 2023-09-02 | |
| Fluorochem | 044890-1g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 95% | 1g |
£92.00 | 2022-03-01 | |
| Fluorochem | 044890-5g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 95% | 5g |
£281.00 | 2022-03-01 | |
| Fluorochem | 044890-10g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 95% | 10g |
£456.00 | 2022-03-01 | |
| Fluorochem | 044890-25g |
tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 95% | 25g |
£711.00 | 2022-03-01 | |
| TRC | B694580-100mg |
tert-Butyl 1-Oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 100mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B694580-500mg |
tert-Butyl 1-Oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 500mg |
$ 230.00 | 2022-06-06 | ||
| TRC | B694580-1g |
tert-Butyl 1-Oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
268550-48-7 | 1g |
$ 340.00 | 2022-06-06 |
tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
Additional information on tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
Professional Introduction to Tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CAS No. 268550-48-7)
Tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate, identified by its Chemical Abstracts Service (CAS) number 268550-48-7, is a sophisticated heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the spirocyclic family, characterized by its unique structural framework where two or more rings are interconnected at one or more common atoms. The presence of both oxygen and nitrogen atoms in its molecular structure imparts distinctive electronic and steric properties, making it a promising candidate for various biochemical applications.
The molecular structure of tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate consists of a spirocyclic core composed of a decane ring system with spiro connections between the fourth and fifth carbon atoms, creating a rigid framework that influences its chemical reactivity and biological interactions. The inclusion of an oxo group (C=O) at the 1-position and carboxylate functionality at the 8-position enhances its potential as a pharmacophore, enabling interactions with biological targets such as enzymes and receptors. Additionally, the tert-butyl group at the carboxylate position provides steric hindrance, which can modulate binding affinity and selectivity in drug design.
Recent advancements in medicinal chemistry have highlighted the significance of spirocyclic compounds due to their ability to exhibit conformational rigidity and unique spatial arrangements of functional groups. This structural motif has been leveraged to develop novel therapeutic agents with improved pharmacokinetic profiles and reduced side effects. The tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate molecule exemplifies this trend, as its design allows for fine-tuning of electronic properties through modifications at key positions, such as the oxo and carboxylate groups.
In the realm of drug discovery, heterocyclic compounds like tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate are particularly valuable due to their diverse biological activities. Studies have demonstrated that spirocyclic heterocycles can serve as scaffolds for developing compounds with antimicrobial, anti-inflammatory, and anticancer properties. The nitrogen atoms in the spirocyclic system can form hydrogen bonds or coordinate with metal ions, facilitating interactions with biological targets. Furthermore, the presence of both oxygen and nitrogen atoms allows for multiple modes of binding, enhancing the compound's potential as a lead molecule in drug development.
The carboxylate moiety in tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is particularly noteworthy for its role in modulating solubility and bioavailability. Carboxylate groups are known to enhance water solubility, which is crucial for oral and injectable formulations. Additionally, this functional group can participate in salt formation, allowing for the creation of derivatives with improved pharmacokinetic properties. The tert-butyl group further contributes to these properties by providing steric bulk that can influence solubility and metabolic stability.
Current research in synthetic organic chemistry has focused on developing efficient methodologies for constructing complex spirocyclic frameworks like those found in tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate. Transition-metal-catalyzed reactions have emerged as powerful tools for achieving regioselective functionalization of heterocyclic systems. For instance, palladium-catalyzed coupling reactions have been employed to construct the spirocyclic core efficiently while maintaining high yields and selectivity. These advances have enabled chemists to explore novel derivatives of this compound with tailored biological activities.
The pharmaceutical industry has shown increasing interest in spirocyclic compounds due to their unique structural features and potential therapeutic applications. Tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is being investigated as a precursor for developing drugs targeting neurological disorders, where rigid scaffolds can improve binding affinity to protein targets involved in neurodegeneration. Additionally, its structural motifs have been explored in the design of antiviral agents, leveraging its ability to interact with viral proteases and enzymes essential for viral replication.
In conclusion,tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CAS No. 268550-48-7) represents a fascinating example of how structural complexity can be harnessed to develop novel therapeutic agents. Its unique spirocyclic framework combined with functional groups such as oxo and carboxylate makes it a versatile scaffold for drug discovery efforts aimed at addressing various diseases. As synthetic methodologies continue to evolve and our understanding of biological targets deepens,tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is poised to play a significant role in the development of next-generation pharmaceuticals.
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