4865-84-3

Basic information

• Product Name: 2-(1,2-Benzisoxazol-3-yl)acetic acid
• Synonyms: SALOR-INT L157759-1EA;2-(1,2-BENZISOXAZOL-3-YL)ACETIC ACID;2-(BENZO[D]ISOXAZOL-3-YL)ACETIC ACID;1,2-BENZISOXAZOLE-3-ACETIC ACID;1,2-BENZISOXAZOL-3-YLACETIC ACID;1,2-BENZISOXAZOLE-3-ACETIC ACID (FOR ZONISAMIDE);1,2-BENZISOXAZOLE-3-METHANECARBONIC ACID;1,2-Benzisoxazol-3-ylacetic
• CAS NO: 4865-84-3
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• Product Categories: Oxazole&Isoxazole;Organic acids;API intermediates;Heterocycles
• Mol File: 4865-84-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 123 °C
• Boiling Point: 377.3 °C at 760 mmHg
• Flash Point: 182 °C
• Appearance: /
• Density: 1.394 g/cm³
• Vapor Pressure: 2.3E-06mmHg at 25°C
• Storage Temp.: 2-8°C
• Solubility: soluble in Methanol
• PKA: 3.60±0.30(Predicted)
• CAS DataBase Reference: 2-(1,2-Benzisoxazol-3-yl)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1,2-Benzisoxazol-3-yl)acetic acid(4865-84-3)
• EPA Substance Registry System: 2-(1,2-Benzisoxazol-3-yl)acetic acid(4865-84-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 4865-84-3(Hazardous Substances Data)

Usage

Chemical Properties

off-white solid

InChI:InChI=1/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)/p-1

Upstream product

• 1076-38-6 4-hydroxy[1]benzopyran-2-one 

Downstream Products

• 50471-23-3 1,2-benzisoxazole-3-acetaldehyde 
• 37924-67-7 α-bromo-1,2-benzisoxazole-3-acetic acid 
• 57148-90-0 2-(1,2-benzisoxazol-3-yl)ethanol 
• 23008-68-6 2-(benzo[d]isoxazol-3-yl)acetamide 
• 84637-46-7 Benzoic acid 7-benzo[d]isoxazol-3-yl-8-oxo-8H-9-oxa-8a-aza-fluoren-6-yl ester 
• 73101-64-1 1,2-benzisoxazole-3-methanesulfonic acid sodium salt 
• 84395-93-7 1,2-benzisoxazole-3-carboxaldehyde 
• 37924-85-9 3-bromomethyl-1,2-benzisoxazole 
• 1445885-56-2 {3-[2-(2-benzo[d]isoxazol-3-ylacetyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]-4-methoxyphenyl}acetic acid 
• 1403683-98-6 methyl (2R,3R)-2-(1,2-benzoxazol-3-yl)-3-(4-methylphenyl)-4-nitrobutanoate 
• 1403683-88-4 methyl (2S,3R)-2-(1,2-benzoxazol-3-yl)-3-(4-methylphenyl)-4-nitrobutanoate 

Relevant articles and documents

A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE

The present invention describes an improved process for the preparation of 1,2Benzisoxazole-3-methanesulphonamide (Zonisamide), a well known anti-epileptic agent which possesses anti-convulsant and anti-neurotoxic effects. Other aspect of this invention are isolation of a key intermediate, viz., crystalline sodium chloride associated 1,2Benzisoxazole-3-methane sodium sulfonate (BOS-Na:NaCl). The isolated crude BOSNa:NaCl is directly converted to Zonisamide using controlled molar ratio of chlorosulfonic acid to avoid the disulfonated side products. The analytical characteristics like IR and XRD data of the BOS-Na:NaCl are also reported to confirm its nature.