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2,1-Benzisoxazol-3(1H)-one

2,1-Benzisoxazol-3(1H)-one Structure
2,1-Benzisoxazol-3(1H)-one structure
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
Molecular Weight:
135.12
MDL Number:
MOL File:
31499-90-8.mol
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2,1-Benzisoxazol-3(1H)-one Properties

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)

2,1-Benzisoxazol-3(1H)-one price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
American Custom Chemicals Corporation CHM0381256 2,1-BENZISOXAZOL-3(1H)-ONE 95.00% 31499-90-8 5MG $500.49 2021-12-16 Buy
Product number Packaging Price Buy
CHM0381256 5MG $500.49 Buy

2,1-Benzisoxazol-3(1H)-one Chemical Properties,Uses,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

Global( 7)Suppliers
Supplier Tel Email Country ProdList Advantage
ATK CHEMICAL COMPANY LIMITED 3429815786 13301662590 sales@atkchemical.com China 9996 55
Yantai ShengKailun Chemical Technology Co., Ltd. 13356901049 3119594100@qq.com China 8167 55
QUALITY CONTROL SOLUTIONS LTD. 13670046396 ORDERS@QCSRM.COM China 18899 58
Bide Pharmatech Ltd. 400-1647117 13681763483 product02@bidepharm.com China 63720 58
guoyungurui 18162595016 3287908757@qq.com China 10338 58
Guangdong Shengke Biochemical Technology Co., Ltd. 189-25112307 18925113981 3809205144@qq.com China 10000 58
Henan Fangding Technology Co., LTD 15670369782 15670369782@163.com China 9924 58
Supplier Advantage
ATK CHEMICAL COMPANY LIMITED 55
Yantai ShengKailun Chemical Technology Co., Ltd. 55
QUALITY CONTROL SOLUTIONS LTD. 58
Bide Pharmatech Ltd. 58
guoyungurui 58
Guangdong Shengke Biochemical Technology Co., Ltd. 58
Henan Fangding Technology Co., LTD 58

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2,1-Benzisoxazol-3(1H)-one Benzo[c]isoxazol-3(1H)-one 31499-90-8