5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid
• CAS No.: 89205-07-2
• Molecular Formula: C11H9NO4
• Molecular Weight: 219.19
• Hs Code.: 2934999090
• European Community (EC) Number: 878-120-5
• DSSTox Substance ID: DTXSID60381549
• Wikidata: Q82172440
• Mol file: 89205-07-2.mol

Synonyms:5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid;89205-07-2;5-(4-methoxyphenyl)oxazole-4-carboxylic acid;Maybridge3_004367;5-(4-Methoxy-phenyl)-oxazole-4-carboxylic acid;5-CHLOROPENTYLBENZOATE;SCHEMBL1167270;DTXSID60381549;XVXCIDWYZMBWJU-UHFFFAOYSA-N;HMS1443G11;MFCD03644147;STK500771;AKOS000266698;CCG-251636;PS-7889;IDI1_015754;BL009683;BB 0253688;CS-0232123;FT-0619658;EN300-126337;Z838909160;5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid, AldrichCPR

Chemical Property of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.59E-07mmHg at 25°C
• Melting Point: 147 °C
• Refractive Index: 1.569
• Boiling Point: 388.9 °C at 760 mmHg
• PKA: 3.11±0.36(Predicted)
• Flash Point: 189 °C
• PSA: 72.56000
• Density: 1.31g/cm³
• LogP: 2.04840
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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: COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)O

Technology Process of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid

There total 2 articles about 5-(4-Methoxyphenyl)-1,3-oxazole-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 5-(4-methoxyphenyl)oxazole-4-carboxylate (255728-49-5) → 5-(4-methoxyphenyl)oxazole-4-carboxylic acid (89205-07-2)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃;

DOI:10.1016/j.bmcl.2012.01.034

Reference yield:

5-(4-Methoxy-phenyl)-oxazole-4-carboxylic acid methyl ester (89205-01-6) → 5-(4-methoxyphenyl)oxazole-4-carboxylic acid (89205-07-2)

Guidance literature:

With potassium hydroxide; In methanol; water; Yield given;

DOI:10.1248/cpb.31.4417

Reference yield: 99.0%

5-(4-methoxyphenyl)oxazole-4-carboxylic acid (89205-07-2) → C11H8(2)HNO4

Guidance literature:

With deuterium; In N,N-dimethyl acetamide; for 24h; under 1500.15 Torr; stereoselective reaction; Glovebox; Heating;

DOI:10.1002/chem.201905651

upstream raw materials:

5-(4-Methoxy-phenyl)-oxazole-4-carboxylic acid methyl ester

ethyl 5-(4-methoxyphenyl)oxazole-4-carboxylate

Downstream raw materials:

C₁₇H₁₅N₃O₃

C₁₇H₁₅N₃O₃

Refernces

• 1、 Ozaki,Maeda,Iwasaki,Matsumoto,Odawara,Sasaki,Morita. "Syntheses of 5-substituted oxazole-4-carboxylic acid derivatives with inhibitory activity on blood platelet aggregation". . p. 4417 - 4424. Retrieved 2007/10/02.