5-Ethoxy-2-phenyloxazole-4-carbonyl chloride

Base Information

• Chemical Name: 5-Ethoxy-2-phenyloxazole-4-carbonyl chloride
• CAS No.: 54644-14-3
• Molecular Formula: C12H10ClNO3
• Molecular Weight: 251.66600
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00518554
• Mol file: 54644-14-3.mol

Synonyms:54644-14-3;5-ETHOXY-2-PHENYLOXAZOLE-4-CARBONYL CHLORIDE;5-Ethoxy-2-phenyl-1,3-oxazole-4-carbonyl chloride;DTXSID00518554;AB54840

Chemical Property of 5-Ethoxy-2-phenyloxazole-4-carbonyl chloride

Chemical Property:

• PSA: 52.33000
• LogP: 3.11930
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

5-ETHOXY-2-PHENYLOXAZOLE-4-CARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(N=C(O1)C2=CC=CC=C2)C(=O)Cl

Technology Process of 5-Ethoxy-2-phenyloxazole-4-carbonyl chloride

There total 2 articles about 5-Ethoxy-2-phenyloxazole-4-carbonyl chloride 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: 86.0%

5-ethoxy-2-phenyloxazole-4-carboxylic acid (54644-12-1) → 2-phenyl-5-ethoxyoxazole-4-carboxylic acid chloride (54644-14-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In diethyl ether; dichloromethane; for 2h; Ambient temperature;

DOI:10.1055/s-1983-30535

Reference yield:

5-Ethoxy-2-phenyl-1,3-oxazol-4-carbonsaeure-ethylester (32418-03-4) → 2-phenyl-5-ethoxyoxazole-4-carboxylic acid chloride (54644-14-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous KOH

2: CHCl₃; PCl₅

With potassium hydroxide; chloroform; phosphorus pentachloride;

Reference yield: 91.0%

2-phenyl-5-ethoxyoxazole-4-carboxylic acid chloride (54644-14-3) + N,N-dimethylguanidinium hydrochloride (22583-29-5) → N'-(5-Ethoxy-2-phenyl-oxazole-4-carbonyl)-N,N-dimethyl-guanidine (88584-29-6)

Guidance literature:

With sodium hydroxide; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1055/s-1983-30535

upstream raw materials:

5-ethoxy-2-phenyloxazole-4-carboxylic acid

5-Ethoxy-2-phenyl-1,3-oxazol-4-carbonsaeure-ethylester

Downstream raw materials:

2-phenyl-4-(aminocarbonyl)-5-ethoxyoxazole

1-(5-ethoxy-2-phenyl-oxazole-4-carbonyl)-aziridine

2-phenyl-4-(1-morpholinocarbonyl)-5-ethoxyoxazole

1-(5-ethoxy-2-phenyl-oxazole-4-carbonyl)-1H-benzoimidazole