3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
• CAS No.: 93041-45-3
• Molecular Formula: C12H11 N O4
• Molecular Weight: 233.22
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10381539
• Wikidata: Q82172425
• Mol file: 93041-45-3.mol

Synonyms:93041-45-3;3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic Acid;3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid;SCHEMBL2777180;3-(4-methoxyphenyl)-5-methyl-4-isoxazole carboxylic acid;DTXSID10381539;IKDPECCMAKOJTK-UHFFFAOYSA-N;MFCD03407357;AKOS005199017;PS-7681;BB 0254329;CS-0122414;FT-0613688;EN300-716892;3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylicacid;4-Isoxazolecarboxylicacid,3-(4-methoxyphenyl)-5-methyl-;3-(4-methoxy-phenyl)-5-methyl-isoxazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid, AldrichCPR;3-Amino-1-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2,4,5-trifluoro-phenyl)-but-2-en-1-one

Chemical Property of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.37E-07mmHg at 25°C
• Melting Point: 191-194
• Boiling Point: 399.1°Cat760mmHg
• Flash Point: 195.2°C
• PSA: 72.56000
• Density: 1.27g/cm³
• LogP: 2.35680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.06880783
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=C(C=C2)OC)C(=O)O

Technology Process of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

There total 5 articles about 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate (495417-31-7) → 3-(4-methoxy)-5-methylisoxazole-4-carboxylic acid (93041-45-3)

Guidance literature:

With water; sodium hydroxide; In methanol;

DOI:10.1016/j.bmcl.2009.11.070

Reference yield:

4-(1-ethoxy-ethylidene)-3-(4-methoxy-phenyl)-4H-isoxazol-5-one (92961-55-2) → 3-(4-methoxy)-5-methylisoxazole-4-carboxylic acid (93041-45-3)

Guidance literature:

With sodium hydroxide; In water; Heating;

DOI:10.1039/jr9630005845

Reference yield:

methyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate (92029-68-0) → 3-(4-methoxy)-5-methylisoxazole-4-carboxylic acid (93041-45-3)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1039/jr9630005845

upstream raw materials:

4-(1-ethoxy-ethylidene)-3-(4-methoxy-phenyl)-4H-isoxazol-5-one

methyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate

N-hydroxy-4-methoxy-benzenecarboximidoyl chloride

3-(4-methoxyphenyl)isoxazol-5(4H)-one

Downstream raw materials:

3-(4-hydroxy-phenyl)-5-methyl-isoxazole-4-carboxylic acid

tert-butyl N-(3-(4-methoxyphenyl)-5-methylisoxazole-4-carbonyl)(methylthio)carbonoimidoylcarbamate

3-(4-hydroxy-phenyl)-5-methyl-isoxazole-4-carbonyl chloride

Refernces