229623-53-4

Basic information

• Product Name: 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI)
• Synonyms: 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI);3-Amino-1,2-benzisoxazole-6-carbonitrile;3-AMinobenzo[d]isoxazole-6-carbonitrile
• CAS NO: 229623-53-4
• Molecular Formula: C8H5N3O
• Molecular Weight: 159.148
• Product Categories: OXAZOLE
• Mol File: 229623-53-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 408.53°C at 760 mmHg
• Flash Point: 200.872°C
• Appearance: /
• Density: 1.411g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.683
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI)(229623-53-4)
• EPA Substance Registry System: 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI)(229623-53-4)

Safety Data

• Hazardous Substances Data: 229623-53-4(Hazardous Substances Data)

Usage

General Description

1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI) is a chemical compound with the molecular formula C9H6N2O. It is a derivative of benzisoxazole and contains a carbonitrile and an amino group. 1,2-Benzisoxazole-6-carbonitrile,3-amino-(9CI) is commonly used in the pharmaceutical industry as a building block for the synthesis of various biologically active molecules. The presence of the amino group makes it a valuable intermediate for the production of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, its unique structure and properties make it a potentially important compound for further research and development in drug discovery and medicinal chemistry.

InChI:InChI=1/C8H5N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,(H2,10,11)

Upstream product

• 1897-53-6 2-fluoroterephthalonitrile 
• 127-06-0 acetone oxime 
• 105942-08-3 4-bromo-6-fluorobenzonitrile 

Downstream Products

• 368426-78-2 6-aminomethyl-benzo[d]isoxazol-3-ylamine 

Relevant articles and documents

PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN

The present invention describes compounds of Formula I: wherein W, X, Y, Z, and Q are defined herein, or a pharmaceutically acceptable salt thereof, for the prophylaxis, or treatment of diseases and conditions related to thrombin activity in a mammal.

Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates

Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P4-aromatics and P2-P3-heterocyclic dipeptide surrogates with weakly basic (calcd pKa ～non-basic - 8.6) bicyclic P1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 featuring P1-indazoles, benzimidazoles, indoles, benzotriazoles, and aminobenzisoxazoles is disclosed.