5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-oxazole

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-oxazole
• CAS No.: 110380-33-1
• Molecular Formula: C₁₄H₁₁NO₂S
• Molecular Weight: 257.313
• DSSTox Substance ID: DTXSID80546552
• Wikidata: Q82424420
• Mol file: 110380-33-1.mol

Synonyms:110380-33-1;5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-oxazole;SCHEMBL10716764;DTXSID80546552;YTC-F_000447;YTC_001378

Chemical Property of 5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-oxazole

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.05104977
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CS3

Technology Process of 5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-oxazole

There total 2 articles about 5-(4-Methoxyphenyl)-2-(thiophen-2-yl)-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: 52.0%

thiophene-2-carbonitrile (1003-31-2) + 4-methoxyphenylacetylen (768-60-5) → 5-(4-methoxyphenyl)-2-(thiophen-2-yl)oxazole (110380-33-1)

Guidance literature:

With 8-methylquinoline 1-oxide; at 60 ℃; for 8h;

DOI:10.1021/acs.joc.7b00386

Reference yield: 36.0%

2-thiophenecarbonyl azide (2046-39-1) + 4-methoxyphenylacetylen (768-60-5) → 2-thiophenylcarboxamide (5813-89-8) + 5-(4-methoxyphenyl)-2-(thiophen-2-yl)oxazole (110380-33-1)

Guidance literature:

With [Cu(tris(3,5-dimethyl-4-bromopyrazolyl)methane)(MeCN)]BF₄; In chloroform; at 40 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja109732s

upstream raw materials:

2-thiophenecarbonyl azide

4-methoxyphenylacetylen

thiophene-2-carbonitrile