62348-13-4

Basic information

• Product Name: ISOXAZOLE-5-CARBONYL CHLORIDE
• Synonyms: TIMTEC-BB SBB005469;ISOXAZOLE-5-CARBONYL CHLORIDE;BUTTPARK 27\08-42;5-ISOXAZOLECARBONYL CHLORIDE;Isoxazole-5-carbonylchloride,97%;5-Isoxazolecarbonyl chloride (9CI);Isoxazole-5-carbonyl chloride 97%;Isoxazole-5-carbonyl chloride, GC 97%
• CAS NO: 62348-13-4
• Molecular Formula: C₄H₂ClNO₂
• Molecular Weight: 131.52
• EINECS: -0
• Product Categories: ACIDHALIDE;Building Blocks;Heterocyclic Building Blocks;Isoxazoles
• Mol File: 62348-13-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 167-168 °C(lit.)
• Flash Point: 190 °F
• Appearance: irritating colorless liquid
• Density: 1.362 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.166mmHg at 25°C
• Refractive Index: n20/D 1.4980(lit.)
• Storage Temp.: Store under Nitrogen
• PKA: -4.58±0.50(Predicted)
• Sensitive: Moisture Sensitive
• BRN: 4375023
• CAS DataBase Reference: ISOXAZOLE-5-CARBONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: ISOXAZOLE-5-CARBONYL CHLORIDE(62348-13-4)
• EPA Substance Registry System: ISOXAZOLE-5-CARBONYL CHLORIDE(62348-13-4)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 62348-13-4(Hazardous Substances Data)

Usage

Description

ISOXAZOLE-5-CARBONYL CHLORIDE is an organic compound characterized by the presence of an isoxazole ring fused with a carbonyl chloride group. It is a versatile intermediate in the synthesis of various pharmaceuticals and bioactive molecules due to its unique chemical structure and reactivity.

Uses

Used in Pharmaceutical Industry:
ISOXAZOLE-5-CARBONYL CHLORIDE is used as a key intermediate in the synthesis of various pharmaceutical compounds for the treatment of different diseases.
Used in Cancer Treatment:
ISOXAZOLE-5-CARBONYL CHLORIDE is used as a reactant in the synthesis of 1-benzhydrylpiperazine derivatives, which may be employed in the treatment of cancer. The corresponding 1-benzhydrylpiperazine derivative can potentially target and inhibit the growth of cancer cells, offering a therapeutic option for cancer patients.
Used in Neurological and Psychiatric Illness Treatment:
ISOXAZOLE-5-CARBONYL CHLORIDE is used as a building block in the synthesis of N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole. ISOXAZOLE-5-CARBONYL CHLORIDE can act as a potent agent in the treatment of neurological and psychiatric illnesses, providing a new avenue for the development of effective therapeutics for these conditions.

InChI:InChI=1/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H

Upstream product

• 88283-10-7 5-trichloromethyl isoxazole 
• 21169-71-1 isoxazole-5-carboxylic acid 

Relevant articles and documents

Synthesis and in vitro activity of new oxazolidinone antibacterial agents having substituted isoxazoles

Two series of oxazolidinone derivatives having substituted isoxazoles were synthesized and tested for antibacterial activities against several Gram-positive strains including the resistant strains of Staphylococcus and Enterococcus, such as MRSA, CRSA, MSSA and VRE. Some of them showed in vitro activities (MIC) comparable or superior to the reference compound vancomycin.

A simple synthesis of isoxazole-5-carboxylic acid

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