2-Phenyl-1,3-oxazole-4-carbonyl chloride

Base Information

• Chemical Name: 2-Phenyl-1,3-oxazole-4-carbonyl chloride
• CAS No.: 1204-70-2
• Molecular Formula: C10H6 Cl N O2
• Molecular Weight: 207.616
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40372733
• Nikkaji Number: J3.647.574I
• Wikidata: Q82160591
• Mol file: 1204-70-2.mol

Synonyms:2-phenyl-1,3-oxazole-4-carbonyl chloride;1204-70-2;2-Phenyloxazole-4-carbonyl chloride;4-Oxazolecarbonyl chloride, 2-phenyl- (7CI,8CI,9CI);DTXSID40372733;MFCD01109268;AKOS004904287;LS-09999;2-Phenyloxazole-4-carboxylic acid chloride;CS-0365070;J3.647.574I

Chemical Property of 2-Phenyl-1,3-oxazole-4-carbonyl chloride

Chemical Property:

• PSA: 43.10000
• LogP: 2.72060
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.0087061
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Phenyl-1,3-oxazole-4-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CO2)C(=O)Cl

Technology Process of 2-Phenyl-1,3-oxazole-4-carbonyl chloride

There total 6 articles about 2-Phenyl-1,3-oxazole-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: 100.0%

2-phenyl-1,3-oxazole-4-carboxylic acid (23012-16-0) → 2-phenyl-1,3-oxazole-4-carbonyl chloride (1204-70-2)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; for 3h; Inert atmosphere;

DOI:10.1021/jm1000979

Reference yield:

benzamide (55-21-0,27208-38-4) → 2-phenyl-1,3-oxazole-4-carbonyl chloride (1204-70-2)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 5 h / 70 °C

2: sodium hydroxide / water; ethanol / 10 h / 20 °C

3: thionyl chloride / benzene / 4 h / Reflux

With thionyl chloride; sodium hydroxide; In ethanol; water; benzene;

DOI:10.1016/j.bmc.2017.01.047

Reference yield:

2-phenyl-oxazole-4-carboxylic acid ethyl ester (39819-39-1) → 2-phenyl-1,3-oxazole-4-carbonyl chloride (1204-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; ethanol / 10 h / 20 °C

2: thionyl chloride / benzene / 4 h / Reflux

With thionyl chloride; sodium hydroxide; In ethanol; water; benzene;

DOI:10.1016/j.bmc.2017.01.047

upstream raw materials:

5-chloro-2-phenyloxazole-4-carbaldehyde

2-phenyl-1,3-oxazole-4-carboxylic acid

2-phenyl-oxazole-4-carboxylic acid ethyl ester

benzamide

Downstream raw materials:

N-cyclohexyl 2-phenyloxazole-4-formamide

2-phenyl-oxazole-4-carboxylic acid benzylidenehydrazide

2-phenyl-oxazole-4-carboxylic acid N'-benzoyl-hydrazide

2-phenyl-oxazole-4-carboxylic acid 2-hydroxy-ethylamide

Refernces

• 1、 Lin, Yinuo,Ahmed, Wasim,He, Min,Xiang, Xuwen,Tang, Riyuan,Cui, Zi-Ning. "Synthesis and bioactivity of phenyl substituted furan and oxazole carboxylic acid derivatives as potential PDE4 inhibitors". . . Retrieved 2020/10/02.
• 2、 Li, Ya-Sheng,Hu, De-Kun,Zhao, Dong-Sheng,Liu, Xing-Yu,Jin, Hong-Wei,Song, Gao-Peng,Cui, Zi-Ning,Zhang, Lian-Hui. "Design, synthesis and biological evaluation of 2,4-disubstituted oxazole derivatives as potential PDE4 inhibitors". . p. 1852 - 1859. Retrieved 2017/03/08.