2,1-BENZISOXAZOLE
2,1-Benzisoxazole
CAS: 271-58-9
Molecular Formula: C7H5NO
2,1-BENZISOXAZOLE - Names and Identifiers
| Name | 2,1-Benzisoxazole |
| Synonyms | ANTHRANIL BENZISOXAZOLE benz(c)isoxazole BENZO[D]ISOXAZOLE benzo[c]isoxazole 2,1-Benzisoxazole 2,1-BENZISOXAZOLE 2,1-BenzisoxazoleAnthranil |
| CAS | 271-58-9 |
| EINECS | 205-980-5 |
| InChI | InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H |
2,1-BENZISOXAZOLE - Physico-chemical Properties
| Molecular Formula | C7H5NO |
| Molar Mass | 119.12 |
| Density | 1.183g/mLat 25°C(lit.) |
| Melting Point | <-18.15°C |
| Boling Point | 101-102°C15mm Hg(lit.) |
| Flash Point | 201°F |
| Vapor Presure | 0.221mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear yellow to brown-red |
| pKa | -2.03±0.30(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.584(lit.) |
2,1-BENZISOXAZOLE - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S25 - Avoid contact with eyes. S24 - Avoid contact with skin. |
| WGK Germany | 3 |
| HS Code | 29349990 |
2,1-BENZISOXAZOLE - Reference Information
| Application | Benzoisoxazole (benzomethimine) is usually used as the parent core of other compounds, such as 3-methylbenzoisoxazole (benzomethimine) can be used as an intermediate in pharmaceutical synthesis, |
| Overview | Benzoisoxazole (benzomethyl imine acid) is a class of benzo heterocyclic compounds containing adjacent oxygen atoms and nitrogen atoms. High biological activity and pharmaceutical properties. Benzoisoxazole (benzomethimine acid) is found in large quantities in drugs with properties such as diazepam, anti-tumor, anticonvulsant, antimicrobial, antithrombotic, and cholinesterase inhibition. The traditional synthesis method of benzisoxazole (benzomethimine acid) compounds requires a strong acidic environment and a large number of organic bases are used. The experimental operation is complicated, and the post-treatment process pollutes the environment. In 2010, Larock's research group used chloroxime and o-trimethylsilyl trifluoromethanesulfonate as raw materials, and cesium fluoride as an inducer to generate benzyne and cyano oxides on site, and [3 2] Cycloaddition reaction prepares benzoisoxazole (benzomethimine acid) compounds. Although this method can obtain benzisoxazole (benzomethimine acid) compounds in a higher yield, the raw materials used in the reaction are complex and need to be synthesized in multiple steps, which also limits its practical application value. According to the review, the research and development of a low-value and simple preparation method of benzisoxazole (benzomethimine acid) has a good application prospect. |
Last Update：2024-04-09 20:52:54
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