1-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

Base Information

• Chemical Name: 1-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
• CAS No.: 3222-92-2
• Molecular Formula: C13H13NO3
• Molecular Weight: 231.251
• DSSTox Substance ID: DTXSID50360969
• Nikkaji Number: J3.145.144B
• Wikidata: Q82143024
• Mol file: 3222-92-2.mol

Synonyms:3222-92-2;1-(2-(4-Methoxyphenyl)-5-methyloxazol-4-yl)ethanone;1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone;DTXSID50360969

Chemical Property of 1-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.08954328
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)OC)C(=O)C

Technology Process of 1-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

There total 4 articles about 1-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone 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: 76.0%

5-Methyl-2-(4-methoxy-phenyl)-4-acetyl-oxazol-N-oxid-hydrochlorid → 1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (3222-92-2)

Guidance literature:

With 2,4,6-trimethyl-pyridine; phosphorus trichloride; In dichloromethane; for 6h; chemoselective reaction; Reflux;

DOI:10.1055/s-0037-1610278

Reference yield: 51.0%

4-methoxy-benzaldehyde (123-11-5) + Isonitrosoacetylacetone (29917-12-2) → 1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (3222-92-2)

Guidance literature:

4-methoxy-benzaldehyde; Isonitrosoacetylacetone; With hydrogenchloride; acetic acid; at 0 - 5 ℃;

With acetic acid; zinc; at 40 - 50 ℃; for 5h;

DOI:10.1016/j.saa.2012.10.005

Reference yield:

1-[2-(4-methoxy-phenyl)-5-methyl-3-oxy-oxazol-4-yl]-ethanone; hydrochloride (18805-35-1) → 1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (3222-92-2)

Guidance literature:

With zinc; In acetic acid;

DOI:10.1039/j39680001397

upstream raw materials:

1-[2-(4-methoxy-phenyl)-5-methyl-3-oxy-oxazol-4-yl]-ethanone; hydrochloride

4-methoxy-benzaldehyde

Isonitrosoacetylacetone

Downstream raw materials:

2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid