2-(Oxetan-3-ylidene)acetonitrile
- CAS No.
- 1123787-67-6
- Chemical Name:
- 2-(Oxetan-3-ylidene)acetonitrile
- Synonyms
- 2-(3-Oxetanylidene)acetonitrile;1-(Oxetan-3-ylidene)acetonitrile;2-(Oxetan-3-ylidene)acetonitrile;Acetonitrile, 2-(3-oxetanylidene)-;2-(3-Oxetanylidene)acetonitrile 95%;2-(oxetan-3-ylidene)acetonitrile - [X6646]
- CBNumber:
- CB32485460
- Molecular Formula:
- C5H5NO
- Molecular Weight:
- 95.1
- MDL Number:
- MFCD14586415
- MOL File:
- 1123787-67-6.mol
| Product description | Number | Pack Size | Price |
| 2-(3-Oxetanylidene)acetonitrile 95% | 731579 | 250mg | $113 |
| 2-(Oxetan-3-ylidene)acetonitrile | E589108 | 100mg | $65 |
| (Oxetan-3-ylidene)acetonitrile | OR309060 | 250mg | $92 |
| 2-(Oxetan-3-ylidene)acetonitrile | 2176AA | 1g | $304 |
| Oxetan-3-ylideneacetonitrile 95% | 4H37-1-06 | 250mg | $199 |
| Melting point | 56-58℃ |
|---|---|
| Boiling point | 216℃ |
| Density | 1.309 |
| Flash point | 88℃ |
| storage temp. | 2-8°C |
| form | solid |
| Appearance | White to light yellow Solid |
| InChI | 1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2 |
| InChIKey | DSKHBLMKLTZNRU-UHFFFAOYSA-N |
| SMILES | N#C\C=C1\COC1 |
| UNSPSC Code | 12352100 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| WGK Germany | 3 |
| HS Code | 2932190090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
2-(Oxetan-3-ylidene)acetonitrile price More Price(18)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 731579 | 2-(3-Oxetanylidene)acetonitrile 95% | 1123787-67-6 | 250mg | $113 | 2023-01-07 | Buy |
| TRC | E589108 | 2-(Oxetan-3-ylidene)acetonitrile | 1123787-67-6 | 100mg | $65 | 2021-12-16 | Buy |
| Apolloscientific | OR309060 | (Oxetan-3-ylidene)acetonitrile | 1123787-67-6 | 250mg | $92 | 2021-12-16 | Buy |
| AK Scientific | 2176AA | 2-(Oxetan-3-ylidene)acetonitrile | 1123787-67-6 | 1g | $304 | 2021-12-16 | Buy |
| SynQuest Laboratories | 4H37-1-06 | Oxetan-3-ylideneacetonitrile 95% | 1123787-67-6 | 250mg | $199 | 2021-12-16 | Buy |
2-(Oxetan-3-ylidene)acetonitrile Chemical Properties,Uses,Production
Synthesis
6704-31-0
2537-48-6
1123787-67-6
General procedure: preparation of intermediate compound (92). To a suspension of sodium hydride (4.12 g, 102.83 mmol) in 1,2-dimethoxyethane (DME, 120 mL), diethyl cyanomethylphosphonate (91) (16.2 mL, 99.8 mmol) was slowly added at 0-5 °C, keeping the reaction temperature below 5 °C. After stirring for 30 min at 0-5 °C, the mixture changed from a non-homogeneous phase to a homogeneous phase. Subsequently, a solution of DME (20 mL) of oxetan-3-one (90) (10.1 g, 83.2 mmol) was added dropwise to this homogeneous mixture at 5 °C. The reaction mixture was gradually warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction was quenched with water (250 mL) and extracted with ethyl acetate (200 mL, followed by 100 mL). The organic layers were combined, washed with brine (200 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered, and the filtrate was concentrated to dryness under reduced pressure to afford 2-(oxetan-3-ylidene)acetonitrile (92) (8.0 g, 60% yield) as an oil, which was allowed to solidify. The product was analyzed by 1H NMR (300 MHz, DMSO-d6): δ 5.43-5.35 (m, 2H), 5.35-5.23 (m, 3H); 13C NMR (300 MHz, DMSO-d6): δ 163.57, 114.17, 9.88, 78.66, 78.53; IR (KBr): 2219 cm-1 ; elemental analysis (C5H5NO) calculated values: C, 63.15; H, 5.30; N, 14.73; measured values: C, 63.00; H, 5.36; N, 14.44.
References
[1] Patent: WO2010/14930, 2010, A2. Location in patent: Page/Page column 63
[2] Patent: WO2014/184163, 2014, A1. Location in patent: Page/Page column 180
[3] European Journal of Organic Chemistry, 2017, vol. 2017, # 31, p. 4530 - 4542
2-(Oxetan-3-ylidene)acetonitrile Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
2-(Oxetan-3-ylidene)acetonitrile Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49977 | 58 |
| Guangzhou Yuheng Pharmaceutical Technology Co., Ltd | +8613580539051 | joe@yuhengpharm.com | CHINA | 21142 | 58 |
| Career Henan Chemica Co | +86-0371-86658258 +8613203830695 | laboratory@coreychem.com | China | 30227 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
| Coresyn Pharmatech Co., Ltd. | +86-571-86626709 +86-18157142896 | cbc@coresyn.com | China | 9984 | 58 |
| PT CHEM GROUP LIMITED | +86-85511178; | peter68@ptchemgroup.com | China | 35425 | 58 |
| GIHI CHEMICALS CO.,LIMITED | +86-571-86217390; +8618058761490 | info@gihichemicals.com | China | 49968 | 58 |
| HANGZHOU LEAP CHEM CO., LTD. | +86-571-87711850 | market18@leapchem.com | China | 43333 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 57505 | 58 |
