134541-03-0

Basic information

• Product Name: 5-ETHYL-ISOXAZOLE-4-CARBOXYLIC ACID
• Synonyms: 5-ETHYL-ISOXAZOLE-4-CARBOXYLIC ACID;4-Isoxazolecarboxylicacid,5-ethyl-(9CI);5-ethyl-4-isoxazolecarboxylic acid(SALTDATA: FREE);5-ethyl-4-isoxazolecarboxylic acid
• CAS NO: 134541-03-0
• Molecular Formula: C₆H₇NO₃
• Molecular Weight: 141.12
• Product Categories: CARBOXYLICACID
• Mol File: 134541-03-0.mol

Chemical Properties

• Melting Point: 85-87 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 129.4°C
• Appearance: /
• Density: 1.273g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.51
• PKA: 2.81±0.10(Predicted)
• CAS DataBase Reference: 5-ETHYL-ISOXAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ETHYL-ISOXAZOLE-4-CARBOXYLIC ACID(134541-03-0)
• EPA Substance Registry System: 5-ETHYL-ISOXAZOLE-4-CARBOXYLIC ACID(134541-03-0)

Safety Data

• Hazardous Substances Data: 134541-03-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
5-Ethyl-isoxazole-4-carboxylic acid is used as a key intermediate in the synthesis of pharmaceuticals for its ability to enhance the biological activity of drug molecules. Its unique structure allows for the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Development:
In the agrochemical industry, 5-ethyl-isoxazole-4-carboxylic acid is utilized as a building block for the creation of novel agrochemicals, such as insecticides, herbicides, and fungicides. Its incorporation into these compounds can lead to enhanced pest control and crop protection.
Used in Polymer and Material Science:
5-Ethyl-isoxazole-4-carboxylic acid is employed in the development of new polymers and materials, where its heterocyclic structure contributes to the desired properties of the final product. This includes applications in coatings, adhesives, and other industrial materials.
Used in Medicinal Chemistry Research:
5-Ethyl-isoxazole-4-carboxylic acid has potential applications in the field of medicinal chemistry due to its biological activities. Researchers are interested in its use as a target for drug discovery and development, as it may lead to the creation of new therapeutic agents with novel mechanisms of action.
Overall, 5-ethyl-isoxazole-4-carboxylic acid is a valuable chemical compound with diverse applications across various industries, including pharmaceuticals, agrochemicals, polymer and material science, and medicinal chemistry research. Its unique structure and properties make it an essential component in the development of innovative products and therapies.

InChI:InChI=1/C6H7NO3/c1-2-5-4(6(8)9)3-7-10-5/h3H,2H2,1H3,(H,8,9)

Upstream product

• 134540-94-6 ethyl 5-ethylisoxazole-4-carboxylate 
• 89193-23-7 ethyl (E)-2-((dimethylamino)methylene)-3-oxopentanoate 
• 66696-98-8 tert-butyl ethyl-3-oxopentanoate 

Downstream Products

• 99803-82-4 5-ethyl-4-isoxazolecarboxylic acid chloride 
• 75705-88-3 5-Ethyl-isoxazole-4-carboxylic acid (4-trifluoromethyl-phenyl)-amide 
• 155602-47-4 5-ethyl-4-isoxazoleacetic acid 
• 155602-38-3 (5-ethylisoxazol-4-yl)methanol 

Relevant articles and documents

For the prevention and treatment of various autoimmune diseases of the new compound

Disclosed is an isoxazole derivative that inhibits the activity of the Janus kinases (JAKs), the structure thereof as presented in formula I, formula II, formula IX, and formula XI. The substituent groups in the formulas are described in the description. Also disclosed are the pharmaceutical composition of the compound and a related use in medicine preparation.

Reaction of 2-Dimethylaminomethylene-1,3-diones with Dinucleophiles. X. Synthesis of 5-Substituted Ethyl or Methyl 4-Isoxazolecarboxylates and Methyl 4-(2,2-Dimethyl-1-oxopropyl)-5-isoxazolecarboxylate

Reaction of ethyl or methyl 2-dimethylaminomethylene-3-oxoalkanoates with hydroxylamine hydrochloride in methanol solution afforded in high yields the relative esters of 5-substituted 4-isoxazolecarboxylic acids II.These esters were hydrolyzed generally with concentrated hydrochloric acid-acetic acid mixtures to the corresponding carboxylic acids in satisfactory yields.Ethyl or methyl esters II isomerized with sodium ethoxide or methoxide, respectively, to the corresponding esters or hemiesters of 2-cyano-3-oxoalkanoic acids generally in excellent to satisfactory yields.Reaction of methyl 5,5-dimethyl-3-dimethylaminomethylene-2,4-dioxohexanoate with hydroxylamine hydrochloride afforded in moderate yield methyl 4-(2,2-dimethyl-1-oxopropyl)-5-isoxazolecarboxylate, which was converted by acid hydrolysis as above to 4-t-butyl-4-hydroxyfuroisoxazol-6-(4H)-one.