50471-17-5

Basic information

• Product Name: 1,2-Benzisoxazole-3-acetonitrile(9CI)
• Synonyms: 1,2-Benzisoxazole-3-acetonitrile(9CI);2-(benzo[d]isoxazol-3-yl)acetonitrile
• CAS NO: 50471-17-5
• Molecular Formula: C₉H₆N₂O
• Molecular Weight: 158.16
• Product Categories: OXAZOLE
• Mol File: 50471-17-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 335.4°C at 760 mmHg
• Flash Point: 156.7°C
• Appearance: /
• Density: 1.257g/cm³
• Vapor Pressure: 0.00012mmHg at 25°C
• Refractive Index: 1.616
• CAS DataBase Reference: 1,2-Benzisoxazole-3-acetonitrile(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzisoxazole-3-acetonitrile(9CI)(50471-17-5)
• EPA Substance Registry System: 1,2-Benzisoxazole-3-acetonitrile(9CI)(50471-17-5)

Safety Data

• Hazardous Substances Data: 50471-17-5(Hazardous Substances Data)

Usage

Type of compound

Heterocyclic compound

Structure

Contains a benzisoxazole ring and an acetonitrile group

Usage

Building block in organic synthesis and pharmaceutical research

Applications

Development of new drugs, treatment of medical conditions (mental health disorders, neurological diseases)

Investigated properties

Antimicrobial and anticancer properties

Field of relevance

Medicinal chemistry

InChI:InChI=1/C9H6N2O/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5H2

Upstream product

• 37924-85-9 3-bromomethyl-1,2-benzisoxazole 
• 151-50-8 potassium cyanide 

Downstream Products

• 82624-79-1 (Z)-2-Benzo[d]isoxazol-3-yl-3-{2-[2-(4-phenyl-piperazin-1-yl)-ethoxy]-phenyl}-acrylonitrile 
• 82625-21-6 {2-[2-((Z)-2-Benzo[d]isoxazol-3-yl-2-cyano-vinyl)-phenoxy]-ethyl}-diethyl-methyl-ammonium; iodide 
• 82625-22-7 (Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-piperidinoethoxy)phenyl>acrylonitrile methiodide 
• 82625-23-8 4-{2-[2-((Z)-2-Benzo[d]isoxazol-3-yl-2-cyano-vinyl)-phenoxy]-ethyl}-4-methyl-morpholin-4-ium; iodide 
• 82625-47-6 (E)-2-(1,2-benzisoxazol-3-yl)-3-[2-(2-piperidinoethoxy)phenyl]acrylonitrile 
• 88137-21-7 (Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-piperidinoethoxy)phenyl>acrylonitrile 
• 59916-23-3 2-benzo[d]isoxazol-3-yl-N-hydroxy-N'-phenyl-acetamidine 

Relevant articles and documents

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.