62254-74-4

Basic information

• Product Name: 5-Methylisoxazole-3-carboxaldehyde
• Synonyms: 5-METHYLISOXAZOLE-3-CARBOXALDEHYDE;5-METHYL-3-ISOXAZOLECARBALDEHYDE;5-Methylisoxazole-3-carbaldehyde;5-Methylisoxazole-3-carboxaldehyde 97%;5-Methyl-1,2-oxazole-3-carbaldehyde;3-Isoxazolecarboxaldehyde,5-Methyl-;5-Methyl-1,2-oxazole-3-carboxaldehyde, 3-Formyl-5-methylisoxazole;5-Methylisoxazole-3-carboxaldehyde97%
• CAS NO: 62254-74-4
• Molecular Formula: C₅H₅NO₂
• Molecular Weight: 111.1
• Product Categories: Aldehydes;Oxazoles, Isoxazoles & Benzoxazoles;heterocyclic/Aliphatic series;Oxazoles, Isoxazoles & Benzoxazoles;Building Blocks;Heterocyclic Building Blocks;Isoxazoles
• Mol File: 62254-74-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 30-34 °C(lit.)
• Boiling Point: 53-57/8mm
• Flash Point: 134 °F
• Appearance: /
• Density: 1.19 g/cm³
• Vapor Pressure: 0.099mmHg at 25°C
• Refractive Index: 1.516
• PKA: -4.90±0.50(Predicted)
• CAS DataBase Reference: 5-Methylisoxazole-3-carboxaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methylisoxazole-3-carboxaldehyde(62254-74-4)
• EPA Substance Registry System: 5-Methylisoxazole-3-carboxaldehyde(62254-74-4)

Safety Data

• Hazard Codes: F,Xn,Xi
• Statements: 22-36/37/38-11
• Safety Statements: 16-36/37/39-26-22
• RIDADR: UN 1325 4.1/PG 3
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 62254-74-4(Hazardous Substances Data)

Usage

General Description

5-Methylisoxazole-3-carboxaldehyde is a chemical compound with the molecular formula C7H7NO2. It is a heterocyclic carboxaldehyde with a five-membered ring containing an isoxazole moiety. This chemical is commonly used as an intermediate in organic synthesis for the preparation of various pharmaceuticals, agrochemicals, and other organic compounds. It is known for its role in the synthesis of biologically active molecules and is often utilized in research and development laboratories. 5-Methylisoxazole-3-carboxaldehyde is a versatile building block that has potential applications in the pharmaceutical and chemical industries.

InChI:InChI=1/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3

Upstream product

• 35166-33-7 (5-methyl-isoxazol-3-yl)-methanol 
• 23429-22-3 3-Dichlormethyl-5-methyl-isoxazol 
• 3209-72-1 ethyl 5-methylisoxazole-3-carboxylate 
• 615-79-2 ethyl 2,4-diketopentanoate 
• 53009-77-1 1,1-dichloro-pentane-2,4-dione 
• 19788-35-3 methyl 5-methylisoxazole-3-carboxylate 

Downstream Products

• 71810-79-2 3-(5-methyl-3-isoxazolyl)-propenoic acid 
• 145441-04-9 (E)-N-(2,6-Dimethyl-phenyl)-3-(5-methyl-isoxazol-3-yl)-acrylamide 
• 850646-74-1 5-methyl-3-oxazol-5-yl-isoxazole 
• 675135-65-6 N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(5-methylisoxazol-3-ylmethyl)-amino]-methyl}-benzamide 
• 1076188-34-5 (E)-1-(4-hydroxy-3-methylphenyl)-3-(5-methylisoxazol-3-yl)prop-2-en-1-one 
• 1162762-61-9 3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-methylisoxazole 
• 1188281-46-0 4-(3-formyl-5-methylisoxazol-4-yl)benzonitrile 
• 1293396-04-9 4-[4-(4-fluorophenyl)-1-{1-[(5-methylisoxazol-3-yl)methyl]piperidin-4-yl}-1H-imidazol-5-yl]pyrimidine 
• 1219004-82-6 (4S)-3-[(2S,3S)-2-(biphenyl-4-ylmethoxy)-3-hydroxy-2-methyl-3-(5-methylisoxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one 
• 1428972-20-6 3-methoxy-N-((5-methylisoxazol-3-yl)methylene)aniline 
• 1428969-01-0 1-(6-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(5-methylisoxazol-3-yl)ethanone 
• 1428969-02-1 2-((3-methoxyphenyl)amino)-1-(1-methyl-1H-indol-3-yl)-2-(5-methylisoxazol-3-yl)ethanone 
• 1428968-12-0 1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(5-methylisoxazol-3-yl)ethanone 
• 1578301-22-0 (2E,6E)-2,6-bis((5-methylisoxazol-3-yl)methylene)cyclohexanone 

Relevant articles and documents

MACROCYCLES AND THEIR USE

The present disclosure relates to macrocyclic compounds, pharmaceutical compositions containing macrocyclic compounds, and methods of using macrocyclic compounds to treat disease, such as cancer.

NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS

Novel difluorinated amide derivatives of Formula (II) as inhibitors of cathepsin S, K, B, and L, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

Selective cyclooxygenase-2 inhibitors: Heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents

A series of heteroaryl modified 1,2-diarylimidazoles has been synthesized and found to be potent and highly selective (1000-9000-fold) inhibitors of the human COX-2.3-Pyridyl derived COX-2 selective inhibitor (25) exhibited excellent activity in acute (carrageenan induced paw edema, ED50 = 5.4 mg/kg) and chronic (adjuvant induced arthritis, ED50 = 0.25 mg/kg) models of inflammation. The relatively long half-life of 25 in rat and dog prompted investigation of the pyridyl and other heteroaromatic systems containing potential metabolic functionalities. A number of substituted pyridyl and thiazole containing compounds (e.g., 44, 46, 54, 76, and 78) demonstrated excellent oral activity in every efficacy model evaluated. Several orally active diarylimidazoles exhibited desirable pharmacokinetics profiles and showed no GI toxicity in the rat up to 100 mg/kg in both acute and chronic models. The paper describes facile and practical syntheses of the targeted diarylimidazoles. The structure-activity relationships and antiinflammatory properties of a series of diarylimidazoles are discussed.