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

Uses

Isoxazole-5-carbonyl chloride can undergo reaction with 1-benzhydrylpiperazine to give the corresponding 1-benzhydrylpiperazine derivative, which may be used in the treatment of cancer. It can also be used in the synthesis of N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole, which can act like potent agent in the treatment of neurological and psychiatric illness.

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

Upstream product

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

Downstream Products

• 656237-14-8 N-[4-chloro-2-({(1R)-1-[3'-fluoro-2'-(2-methyl-2H-tetraazol-5-yl)-1,1'-biphenyl-4-yl]ethyl}amino)pyridin-3-yl]isoxazole-5-carboxamide 
• 1147125-72-1 (4-benzhydrylpiperazin-1-yl)(isoxazol-5-yl)methanone 
• 849337-26-4 N-(1,3-diphenyl-1H-pyrazol-5-yl)isoxazole-5-carboxamide 
• 1296644-65-9 C₂₃H₂₀ClN₅O₂ 
• 1310805-89-0 N-(cyclopropylmethyl)-N-(5-{3-isopropoxy-5-[(1-methyl-1H-pyrazol-3-yl)carbamoyl]phenoxy}pyrazin-2-yl)-1,2-oxazole-5-carboxamide 
• 1005778-31-3 C₂₀H₁₆N₆O₄ 
• 1443334-08-4 4-chloro-3-(4-cyclopropylbenzyl)-1-{6-deoxy-6-[(1,2-oxazol-5-ylcarbonyl)amino]-β-D-glucopyranosyl}-1H-indole 

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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