4825-75-6

Basic information

• Product Name: 3-METHYL-1,2-BENZISOXAZOLE
• Synonyms: 3-METHYL-1,2-BENZISOXAZOLE;3-METHYLBENZODISOXAZOLE;1,2-BENZISOXAZOLE, 3-METHYL-;Zinc02509782;3-Methylindoxazene
• CAS NO: 4825-75-6
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 4825-75-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 84-90oC /membrane Pump
• Flash Point: 92.3°C
• Appearance: /
• Density: 1.149g/cm³
• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.594
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
• PKA: -0.80±0.30(Predicted)
• CAS DataBase Reference: 3-METHYL-1,2-BENZISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1,2-BENZISOXAZOLE(4825-75-6)
• EPA Substance Registry System: 3-METHYL-1,2-BENZISOXAZOLE(4825-75-6)

Safety Data

• Hazardous Substances Data: 4825-75-6(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Liquid

Uses

3-Methyl-1,2-benzisoxazole (cas# 4825-75-6) is a compound useful in organic synthesis.

InChI:InChI=1/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3

Upstream product

• 1196-29-8 2-hydroxyacetophenoneoxime 
• 108-24-7 acetic anhydride 
• 75632-99-4 3-methyl-1,2-benzisoxazole N-oxide 
• 118-93-4 o-hydroxyacetophenone 
• 21895-22-7 2’-hydroxyacetophenone imine 

Downstream Products

• 1621019-22-4 3-(benzo[d]isoxazol-3-yl)-1-phenylpyrrolidine-2,5-dione 
• 1621019-21-3 3-(benzo[d]isoxazol-3-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione 

Relevant articles and documents

A divergent and selective synthesis of isomeric benzoxazoles from a single N-Cl imine

A divergent and regioselective synthesis of either 3-substituted benzisoxazoles or 2-substituted benzoxazoles from readily accessible ortho-hydroxyaryl N-H ketimines is described. The reaction proceeds in two distinct pathways through a common N-Cl imine intermediate: (a) N-O bond formation to form benzisoxazole under anhydrous conditions and (b) NaOCl mediated Beckmann-type rearrangement to form benzoxazole, respectively. The reaction path also depends on the electronic nature of the aromatic ring, with the electron-rich aromatic rings favoring the rearrangement and the electron-deficient rings favoring the N-O bond formation. A Beckmann-type rearrangement mechanism via net [1,2]-aryl migration for the formation of 2-substituted benzoxazole is proposed.

Preparation of 1,2-Benzisoxazoles from Salicylaldoximes via Trichloroacetyl Isocyanate

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