1-Boc-3-Cyanoazetidine
- CAS No.
- 142253-54-1
- Chemical Name:
- 1-Boc-3-Cyanoazetidine
- Synonyms
- TERT-BUTYL 3-CYANOAZETIDINE-1-CARBOXYLATE;1-Boc-3-Cynoazetidine;1-Boc-3-cyanoazetidine;N-Boc-3-Cyanoazetidine;3-CYANO-1-BOC-AZETIDINE;elagolix intermediate 10;N-T-BOC-3-CYANOAZETIDINE;1-N-BOC-3-CYANO-AZETIDINE;1-(N-BOC)-3-cyanoazetidine - [B3074];3-CYANO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CBNumber:
- CB1382370
- Molecular Formula:
- C9H14N2O2
- Molecular Weight:
- 182.22
- MDL Number:
- MFCD06796640
- MOL File:
- 142253-54-1.mol
- MSDS File:
- SDS
| Melting point | 68-71°C |
|---|---|
| Boiling point | 290.2±33.0 °C(Predicted) |
| Density | 1.11±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | solid |
| pka | -4.29±0.40(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,5-6H2,1-3H3 |
| InChIKey | WEFREESWPHICPL-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC(C#N)C1 |
| CAS DataBase Reference | 142253-54-1(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS09 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H319-H411 | |||||||||
| Precautionary statements | P273-P301+P312+P330-P305+P351+P338 | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 20/21/22-36/37/38-52-36-22 | |||||||||
| Safety Statements | 26-36/37/39-36/37-9 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2933998090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Eye Irrit. 2 |
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| Limited Quantities | 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
1-Boc-3-Cyanoazetidine price More Price(77)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | SYX00238 | 1-(N-Boc)-3-cyanoazetidine Aldrich | 142253-54-1 | 1g | $93.2 | 2026-04-30 | Buy |
| Usbiological | 408429 | 1-(N-Boc)-3-cyanoazetidine | 142253-54-1 | 1g | $326 | 2026-06-03 | Buy |
| Usbiological | 408429 | 1-(N-Boc)-3-cyanoazetidine | 142253-54-1 | 5g | $516 | 2026-06-03 | Buy |
| AstaTech | B66744 | 1-N-BOC-3-CYANO-AZETIDINE 97% | 142253-54-1 | 5G | $35 | 2026-04-30 | Buy |
| AstaTech | B66744 | 1-N-BOC-3-CYANO-AZETIDINE 97% | 142253-54-1 | 25G | $109 | 2026-04-30 | Buy |
1-Boc-3-Cyanoazetidine Chemical Properties, Uses, Production
Uses
1-(N-Boc)-3-cyanoazetidine can be used as reagent/reactant for preparation and SAR of pyridinylmethanol derivatives as TRPV3 antagonists. It can also be used as reagent/reactant for preparation of substituted pyridines via nucleophilic aromatic substitution of cyanopyridines with disubstituted esters and nitriles.
Synthesis
345954-83-8
24424-99-5
142253-54-1
Step 1: 3-Cyanonitrile azetidine hydrochloride (3.64 g, 30.7 mmol) was suspended in 77 mL of dichloromethane. Triethylamine (4.3 mL, 30.7 mmol) was added to the suspension, followed by batchwise addition of di-tert-butyl dicarbonate (8.0 g, 36.8 mmol). The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the reaction mixture was diluted with aqueous hydrochloric acid and dichloromethane. The organic and aqueous layers were separated and the aqueous layer was extracted with dichloromethane. All organic layers were combined, washed with saturated sodium chloride solution and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (eluent: ethyl acetate/hexane) to give 5.5 g (98% yield) of tert-butyl 3-cyanoazetidine-1-carboxylate.
References
[1] Patent: US2011/230462, 2011, A1. Location in patent: Page/Page column 64-65
[2] Patent: WO2011/61214, 2011, A1. Location in patent: Page/Page column 50
[3] Patent: WO2013/152065, 2013, A2. Location in patent: Page/Page column 27
1-Boc-3-Cyanoazetidine Preparation Products And Raw materials
Raw materials
1of4
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shaoxing Chuangyi Pharmaceutical Technology Development Co., Ltd. | 17757563203 | y_junlin@126.com | China | 16 | 58 |
| Nantong Xiaochang Pharmaceutical Trading Co., Ltd. | 0513-82104991 18862997351 | sales11@btcpharm.com | China | 859 | 58 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
View Latest Price from 1-Boc-3-Cyanoazetidine manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-04-02 | 1-Boc-3-Cyanoazetidine
142253-54-1
|
$10.00-100.00 | 1kg | 99% | 5000 Metric Ton/Month | Wuhan Xinhao Biotechnology Co., Ltd | |
 |
2022-01-27 | 1-Boc-3-cyanoazetidine
142253-54-1
|
1KG | 97.1% | 100 tons | Honest Joy Holdings Limited | ||
 |
2019-07-06 | 1-Boc-3-Cyanoazetidine
142253-54-1
|
$1.00 | 1KG | 95% | 500KG | Career Henan Chemical Co |
-
- 1-Boc-3-Cyanoazetidine
142253-54-1
- $10.00-100.00
- 99%
- Wuhan Xinhao Biotechnology Co., Ltd
-
- 1-Boc-3-cyanoazetidine
142253-54-1
- $0.00
- 97.1%
- Honest Joy Holdings Limited
-
- 1-Boc-3-Cyanoazetidine
142253-54-1
- $1.00
- 95%
- Career Henan Chemical Co
