5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole

Base Information

• Chemical Name: 5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
• CAS No.: 477867-59-7
• Molecular Formula: C12H13NO3
• Molecular Weight: 219.24
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40376993
• Wikidata: Q82165989
• ChEMBL ID: CHEMBL1578423
• Mol file: 477867-59-7.mol

Synonyms:477867-59-7;5-Ethoxy-2-(4-methoxyphenyl)oxazole;5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole;4-(5-ethoxy-1,3-oxazol-2-yl)phenyl methyl ether;Oxazole, 5-ethoxy-2-(4-methoxyphenyl)- (9CI);MLS000325879;SCHEMBL3718245;CHEMBL1578423;DTXSID40376993;HMS2307L21;CUA86759;MFCD00793751;AKOS005069759;SMR000170185;CS-0327202;1M-023;4-(5-Ethoxy-1,3-oxazol-2-yl)phenylmethylether;J-517464

Chemical Property of 5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole

Chemical Property:

• PSA: 44.49000
• LogP: 2.74890
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

4-(5-Ethoxy-1,3-oxazol-2-yl)phenyl methyl ether >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CN=C(O1)C2=CC=C(C=C2)OC

Technology Process of 5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole

There total 3 articles about 5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole 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: 75.0%

ethyl 2-(4-methoxybenzamido)acetate (51220-57-6) → 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole (477867-59-7)

Guidance literature:

With iodine; triethylamine; triphenylphosphine; In dichloromethane; for 24h;

DOI:10.1021/acs.orglett.7b02767

Reference yield: 60.0%

diazoacetic acid ethyl ester (623-73-4) + 4-methoxybenzonitrile (874-90-8) → 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole (477867-59-7)

Guidance literature:

With montmorillonite; copper(l) chloride; at 135 ℃; Microwave irradiation;

DOI:10.3184/174751912X13298456741454

Reference yield:

4-methoxy-benzoyl chloride (100-07-2) → 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole (477867-59-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 12 h / 0 - 20 °C

2: triethylamine; triphenylphosphine; iodine / dichloromethane / 24 h

With iodine; triethylamine; triphenylphosphine; In dichloromethane;

DOI:10.1021/acs.orglett.7b02767

upstream raw materials:

diazoacetic acid ethyl ester

4-methoxybenzonitrile

ethyl 2-(4-methoxybenzamido)acetate

4-methoxy-benzoyl chloride

Downstream raw materials:

ethyl 5-hydroxy-2-(4-methoxyphenyl)pyridine-4-carboxylate

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