90087-36-8

Basic information

• Product Name: 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID
• Synonyms: 4-Isoxazolecarboxylicacid, 5-isopropyl-3-methyl- (7CI); 5-Isopropyl-3-methyl-4-isoxazolecarboxylicacid
• CAS NO: 90087-36-8
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• Mol File: 90087-36-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 295.5°Cat760mmHg
• Flash Point: 132.5°C
• Appearance: /
• Density: 1.172g/cm³
• Vapor Pressure: 0.000689mmHg at 25°C
• Refractive Index: 1.501
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID(90087-36-8)
• EPA Substance Registry System: 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID(90087-36-8)

Safety Data

• Hazardous Substances Data: 90087-36-8(Hazardous Substances Data)

Usage

General Description

5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID is a chemical compound with the molecular formula C8H13NO3. It is a carboxylic acid derivative with isoxazole and methyl substituents, and an isopropyl group attached to the nitrogen atom. 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID is commonly used as a building block in organic synthesis, particularly in the pharmaceutical and agrochemical industries. It has potential applications in the development of new drugs and crop protection chemicals due to its unique structure and reactivity. Additionally, it can also be used as a research tool in the study of organic chemistry and biochemistry.

InChI:InChI=1/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)9-12-7/h4H,1-3H3,(H,10,11)

Upstream product

• 79322-87-5 ethyl 3-oxo-2-acetyl-4-methylpentanoate 
• 91004-89-6 5-(1-carboxy-1-methyl-ethyl)-3-methyl-isoxazole-4-carboxylic acid 
• 69083-54-1 3-methyl-5-ethylisoxazole-4-carboxylic acid 
• 74-88-4 methyl iodide 

Downstream Products

• 1394017-41-4 N-(1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl)-5-isopropyl-3-methylisoxazole-4-carboxamide 
• 1394017-71-0 N-(1-(4-cyano-3-fluorophenyl)-3,3-dimethyl-1-oxobutan-2-yl)-5-isopropyl-3-methylisoxazole-4-carboxamide 
• 99299-08-8 (5-Isopropyl-3-methyl-isoxazol-4-yl)-methanol 

Relevant articles and documents

Medicament for viral diseases

Isoxazoles are highly effective anti-viral agents. Combinations of isoxazoles, dihydropyrimidines and/or lamivudine and, optionally, interferon inhibit the proliferation of HBV viruses better than conventional agents.

Metalation of Isoxazolyloxazolines, a Facile Route to Functionally Complex Isoxazoles: Utility, Scope, and Comparison to Dianion Methodology

2-(5'-Alkylisoxazol-4'-yl)-Δ2-oxazoline was metalated at the C-5' alkyl group, and the lithio anion was quenched with a variety of electrophiles.Alkyl halides, aldehydes, and acylpyridinium salts were used as electrophiles.The lithio anion was oxygenated with MOOPH or N-(phenylsulfonyl)oxaziridene.The isoxazolyloxazoline system was converted to the isoxazolyl carboxylic acid, aldehyde, ketone, and chiral oxazoline.The isoxazolyloxazoline was formed, metalated, and deprotected in synthetically useful yields and represents a facile entry into functionally complex isoxazoles.To determine the necessity of the oxazoline protection/deprotection scheme, dianions of isoxazole-4-carboxylic acids were studied.The dianion method was found to be more efficient for simple alkyl halides, but limited in scope.