2,1-Benzisoxazol-3(1H)-one
Synthesis- Product Name
- 2,1-Benzisoxazol-3(1H)-one
- CAS No.
- 31499-90-8
- Chemical Name
- 2,1-Benzisoxazol-3(1H)-one
- Synonyms
- Benzo[c]isoxazol-3(1H)-one;2,1-Benzisoxazol-3(1H)-one
- CBNumber
- CB42218025
- Molecular Formula
- C7H5NO2
- Formula Weight
- 135.12
- MOL File
- 31499-90-8.mol
2,1-Benzisoxazol-3(1H)-one Property
- Melting point:
- 112 °C
- Boiling point:
- 240.8±23.0 °C(Predicted)
- Density
- 1.323±0.06 g/cm3(Predicted)
- pka
- -1.46±0.20(Predicted)
N-Bromosuccinimide Price
- Product number
- CHM0381256
- Product name
- 2,1-BENZISOXAZOL-3(1H)-ONE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $500.49
- Updated
- 2021/12/16
2,1-Benzisoxazol-3(1H)-one Chemical Properties,Usage,Production
Synthesis
The mixture of 13.1 mg (0.078 mmol) of 2-azidobenzoic acid and 10.8 mg (0.078 mmol) of potassium carbonate in 10 mL ethanol was irradiated for 1 h with intensive stirring. The reaction mixture was added to 50 mL water, extracted with benzene and eluted through silica gel. The benzisoxazole-containing solution was evaporated in vacuo affording 2,1-benzisoxazole-3(1H)-one with 75% yield. Pale yellow crystals reddening at room temperature and stored at −20 °C. 1H NMR (400 MHz, CDCl3) δ 8.69 (s, 1H), 7.85 (d, J = 7.8 Hz, 1H), 7.68 (t, J = 7.7 Hz, 1H), 7.31 (s, 1H), 7.23 (d, J = 8.2 Hz, 1H). 13C NMR (101 MHz, CDCl3) δ 169.0, 155.6, 135.2, 125.8, 124.7, 112.6, 111.9; IR (suspension in nujol oil, cm-1 ): 3127 (ν NH); 1744, 1719 (ν C=O); 1068 (ν CO); m/z (rel, intensity) 136.02(M+ +2, 5.64), 134.91(M+ , 100.00), 118.93(2.73), 103.94(3.61), 90.92(M+-CO2, 14.07), 78.94(7.04), 76.97(5.45), 75.94(8.75), 63.98(10.01), 62.96(6.98), 51.99(11.24), 50.97(3.55), 49.95(4.86), 43.99(8.23), 39.95(2.83).
Synthesis Reference(s)
Journal of Medicinal Chemistry, 27, p. 1212, 1984 DOI: 10.1021/jm00375a022
2,1-Benzisoxazol-3(1H)-one Preparation Products And Raw materials
Raw materials
Preparation Products
2,1-Benzisoxazol-3(1H)-one Suppliers
- Tel
- 021-51619050 13301662590
- Fax
- +86-21-51619052
- mandy@atkchemical.com
- Country
- China
- ProdList
- 10196
- Advantage
- 55
- Tel
- 13356901049
- Fax
- QQ：1025383091
- 3119594100@qq.com
- Country
- China
- ProdList
- 7964
- Advantage
- 55
- Tel
- 0755-66853366; 13670046396
- ORDERS@QCSRM.COM
- Country
- China
- ProdList
- 24342
- Advantage
- 58
- Tel
- 400-1647117 13681763483
- product02@bidepharm.com
- Country
- China
- ProdList
- 62075
- Advantage
- 58
- Tel
- 13356901049
- mark@sklnchem.cn
- Country
- China
- ProdList
- 14377
- Advantage
- 58
- Tel
- 18162595016; 18162595016
- 3287908757@qq.com
- Country
- China
- ProdList
- 10335
- Advantage
- 58
- Tel
- 189-25112307 18925113981
- 3809205144@qq.com
- Country
- China
- ProdList
- 9995
- Advantage
- 58