39499-34-8

Basic information

• Product Name: 5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE
• Synonyms: TIMTEC-BB SBB005468;BUTTPARK 27\08-48;5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE;3-Isoxazolecarbonyl chloride, 5-methyl- (7CI,9CI);5-Methylisoxazole-3-carbonyl chloride, 95+%;5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE, TECH;5-Methyl-3-isoxazolecarboxylic acid chloride;5-Methyl-3-carboxy acid chloride isoxazole
• CAS NO: 39499-34-8
• Molecular Formula: C₅H₄ClNO₂
• Molecular Weight: 145.54
• EINECS: 254-475-6
• Product Categories: ACIDHALIDE;Carbonyl Chlorides;Oxazoles, Isoxazoles & Benzoxazoles;Carbonyl Chlorides;Oxazoles, Isoxazoles & Benzoxazoles
• Mol File: 39499-34-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 104 °C
• Flash Point: 101.2 °C
• Appearance: /
• Density: 1.345g/cm³
• Vapor Pressure: 0.0317mmHg at 25°C
• Refractive Index: 1.498
• PKA: -6.37±0.50(Predicted)
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE(39499-34-8)
• EPA Substance Registry System: 5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE(39499-34-8)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39
• RIDADR: 3261
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 39499-34-8(Hazardous Substances Data)

Usage

General Description

5-Methylisoxazole-3-carbonyl chloride is a chemical compound with the molecular formula C5H4ClNO2. It is a reactive compound that is primarily used in organic synthesis to introduce the 5-methylisoxazole-3-carbonyl functionality into other molecules. 5-METHYLISOXAZOLE-3-CARBONYL CHLORIDE is often used as a reagent in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. It is also commonly employed in the synthesis of heterocyclic compounds and other organic building blocks. Due to its high reactivity, it should be handled with caution and stored in a cool, dry place away from heat and sources of ignition.

InChI:InChI=1/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3

Upstream product

• 3209-72-1 ethyl 5-methylisoxazole-3-carboxylate 
• 3405-77-4 5-methylisoxazole 3-carboxylic acid 
• 85392-50-3 5-methyl-isoxazole-3-carboxylic acid; sodium salt 

Downstream Products

• 74531-16-1 5-methyl-isoxazole-3-carboxylic acid dimethylamide 
• 99984-65-3 5-methyl-3-(N-phenylcarbamoyl)isoxazole 
• 3445-52-1 5-methyl-isoxazole-3-carbothioic acid amide 
• 145440-94-4 5-Methyl-isoxazole-3-carboxylic acid (2-methyl-6-nitro-phenyl)-amide 
• 130403-20-2 5-Methyl-isoxazole-3-carboxylic acid (4-bromo-2,6-dimethyl-phenyl)-amide 
• 130403-04-2 5-Methyl-isoxazole-3-carboxylic acid (2,6-diisopropyl-phenyl)-amide 
• 130403-15-5 5-Methyl-isoxazole-3-carboxylic acid (4-methoxy-2,6-dimethyl-phenyl)-amide 
• 145440-87-5 5-Methyl-isoxazole-3-carboxylic acid (2-benzyl-phenyl)-amide 
• 145440-92-2 3-Methyl-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-benzoic acid ethyl ester 
• 130403-03-1 3-(2-methyl 6-isopropyl phenylcarbamoyl)-5-methyl isoxazole 
• 145440-91-1 5-Methyl-isoxazole-3-carboxylic acid (3-bromo-2,6-dimethyl-phenyl)-amide 
• 145441-06-1 5-Methyl-isoxazole-3-carboxylic acid 2,6-dimethyl-phenyl ester 
• 88812-95-7 5-Methyl-isoxazole-3-carboxylic acid (2-methoxy-phenyl)-amide 
• 145440-86-4 5-Methyl-isoxazole-3-carboxylic acid biphenyl-2-ylamide 

Relevant articles and documents

Isoxazole formamido-4 (3H)-quinazolinone derivative as well as synthesis method and application thereof

The invention relates to a 6-(isoxazolyl-3-formamido)-4 (3H)-quinazolinone derivative as well as a synthesis method and application thereof, belongs to the technical field of medicines, and relates to a general formula (I) in which R1, R2 and R3 are different substituent groups. The invention discloses structures and synthesis methods of the compounds, inhibitory activity of acetylcholin esterase and inhibitory activity of protein tyrosine phosphatase, and the compounds can be further developed into drugs for treating Alzheimer's disease.

NOVEL COMPOUNDS AND USES

The present invention relates to compounds of formula (I): wherein Q is O or S; R1 is a cyclic group substituted with at least one group X, wherein R1 may optionally be further substituted; X is any group comprising a carbonyl group; and R2 is a cyclic group substituted at the α-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the dual action of NLRP3 inhibition and the stimulation of insulin secretion.

4-Iminooxazolidin-2-one as a Bioisostere of the Cyanohydrin Moiety: Inhibitors of Enterovirus 71 3C Protease

A recently reported potent inhibitor of enterovirus 71 3C protease, (R)-1, was found to have stability and potential toxicity issues due to the presence of a cyanohydrin moiety. Modifying the labile cyanohydrin moiety, by serendipity, led to the discovery of 4-iminooxazolidin-2-one-based inhibitors 4e and 4g with potent inhibitory activity and significantly improved stability. In vivo pharmacokinetic studies of 4e also demonstrated high plasma exposure and moderate half-life. These compounds have shown potential of becoming anti-EV71 drug candidates.