tert-Butyl 3-oxoazetidine-1-carboxylate
- CAS No.
- 398489-26-4
- Chemical Name:
- tert-Butyl 3-oxoazetidine-1-carboxylate
- Synonyms
- 1-BOC-3-AZETIDINONE;N-Boc-3-azetidinone;N-Boc-Azetidin-3-one;3-OXO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 3-Ox;Baricitinib-011;1-Boc azitidone;N-boc-3-azetidine;1-Boc-3-azetidione;1-Boc-3-acetidinone
- CBNumber:
- CB5282384
- Molecular Formula:
- C8H13NO3
- Molecular Weight:
- 171.19
- MOL File:
- 398489-26-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/30 14:17:11
| Melting point | 47-51 °C |
|---|---|
| Boiling point | 251.3±33.0 °C(Predicted) |
| Density | 1.174±0.06 g/cm3(Predicted) |
| Flash point | 102 °C |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Sparingly), Dichloromethane (Slightly) |
| pka | -1.99±0.20(Predicted) |
| form | Crystalline Powder |
| color | White to off-white |
| Sensitive | Moisture Sensitive/Stench |
| InChI | InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3 |
| InChIKey | VMKIXWAFFVLJCK-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC(=O)C1 |
| CAS DataBase Reference | 398489-26-4(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H318-H335 | |||||||||
| Precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 22-37/38-41 | |||||||||
| Safety Statements | 26-39 | |||||||||
| RIDADR | UN 3335 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
tert-Butyl 3-oxoazetidine-1-carboxylate price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 696315 | 1-Boc-3-azetidinone 97% | 398489-26-4 | 1G | ₹7685.75 | 2022-06-14 | Buy |
| TCI Chemicals (India) | B3988 | 1-(tert-Butoxycarbonyl)-3-azetidinone min. 98.0 % | 398489-26-4 | 1G | ₹6900 | 2022-05-26 | Buy |
| TCI Chemicals (India) | B3988 | 1-(tert-Butoxycarbonyl)-3-azetidinone min. 98.0 % | 398489-26-4 | 5G | ₹17900 | 2022-05-26 | Buy |
tert-Butyl 3-oxoazetidine-1-carboxylate Chemical Properties,Uses,Production
Chemical Properties
White to light brown solid
Uses
1-Boc-3-azetidinone can be used for the preparation of antibacterial aminoglycoside analogs.
Uses
tert-Butyl 3-oxoazetidine-1-carboxylate(1-Boc-3-azetidinone) is a currently common organic intermediate. It is a key intermediate for preparing various medicaments. It can be used for preparing Janus kinase 3(JAKS), which is a useful target for immunosuppression and transplant rejection, and can be used for treating inflammatory disorders, autoimmune disorders, cancer and other diseases; also useful in the preparation of a second class of HCV protease inhibitors useful in the treatment of HCV genotype 1 infection; can also be used for preparing novel aminoglycoside compounds with antibacterial activity; bicyclic himbacine (himbacine) derivatives can be prepared which are useful as antagonists of the protease activated receptor-1 (PAR-1) and are predicted to be cannabis (CB2) receptor inhibitors, useful for the treatment of secondary prevention of Acute Coronary Syndrome (ACS), myocardial infarction or thrombotic stroke or peripheral arterial disease; bicyclic azacyclobenzylamine derivatives, such as pyridopyrimidines, can be prepared that modulate the activity of phospho-inositol 3-kinase (P13K) and are useful in the treatment of diseases associated with P13K, including, for example, inflammatory disorders, immune-based disorders, cancer, and other diseases.
Synthesis
The traditional preparation method of tert-Butyl 3-oxoazetidine-1-carboxylate is mainly to oxidize the hydroxyl on an aza ring into ketone. For example: 3-azetidinium alkoxide, di-tert-butyl dicarbonate and sodium bicarbonate in dioxane: stirring the mixture of water for 15 hours to obtain 3-hydroxyazetidine-1-carboxylic acid-1, 1-dimethylethyl ester; dissolving 3-hydroxyazetidine-1-carboxylic acid-1, 1-dimethyl ethyl ester in ethanedioyl chloride and dichloromethane, adding DMSO and triethylamine, stirring at room temperature for 15 hours to obtain tert-Butyl 3-oxoazetidine-1-carboxylate.
tert-Butyl 3-oxoazetidine-1-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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|---|---|---|---|---|---|
| BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
| GLR Innovations | +91 9891111994 | New Delhi, India | 4542 | 58 | Inquiry |
| SPD CHEMICALS | +91-7075800742 +91-7075800742 | Hyderabad, India | 214 | 58 | Inquiry |
| BTC pharm India | +918790379245 | Telangana, India | 145 | 58 | Inquiry |
| Rivashaa Agrotech Biopharma Pvt. Ltd. | +91-26463395 +91-7926462688 | Gujarat, India | 1615 | 58 | Inquiry |
| ALS INDIA LIFE SCIENCES | +91-8977036379 +91-8977036379 | Hyderabad, India | 1879 | 58 | Inquiry |
| Denisco Chemicals Pvt Ltd | +91-9989050751 | Telangana, India | 249 | 58 | Inquiry |
| Clarity Research Laboratory | +91-8008229325 +91-8008229325 | Telangana, India | 96 | 58 | Inquiry |
| Molecular Blocks | 08068442230Ext 551 | Hyderabad, India | 5 | 58 | Inquiry |
| Rumit Chemisynth Private Limited | 09821063466 | Mumbai, India | 3 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| GLR Innovations | 58 |
| SPD CHEMICALS | 58 |
| BTC pharm India | 58 |
| Rivashaa Agrotech Biopharma Pvt. Ltd. | 58 |
| ALS INDIA LIFE SCIENCES | 58 |
| Denisco Chemicals Pvt Ltd | 58 |
| Clarity Research Laboratory | 58 |
| Molecular Blocks | 58 |
| Rumit Chemisynth Private Limited | 58 |
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