2-(2-Fluorophenyl)-5-phenyloxazole

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-5-phenyloxazole
• CAS No.: 391-07-1
• Molecular Formula: C15H10 F N O
• Molecular Weight: 239.249
• Hs Code.: 2934999090
• European Community (EC) Number: 206-872-0
• NSC Number: 90366
• UNII: JP8NKN8BJC
• DSSTox Substance ID: DTXSID10192344
• Nikkaji Number: J213.619H
• Wikidata: Q83064999
• Mol file: 391-07-1.mol

Synonyms:2-(2-Fluorophenyl)-5-phenyloxazole;391-07-1;JP8NKN8BJC;EINECS 206-872-0;NSC-90366;2-(2-fluorophenyl)-5-phenyl-1,3-oxazole;oxazole, 2-(2-fluorophenyl)-5-phenyl-;NSC90366;UNII-JP8NKN8BJC;DTXSID10192344;2-(2-Fluorphenyl)-5-phenyloxazol;2-(o-fluorphenyl)-5-phenyl-oxazol;NSC 90366

Chemical Property of 2-(2-Fluorophenyl)-5-phenyloxazole

Chemical Property:

• Vapor Pressure: 6.91E-06mmHg at 25°C
• Boiling Point: 388.3°C at 760 mmHg
• Flash Point: 188.7°C
• PSA: 26.03000
• Density: 1.194g/cm³
• LogP: 4.14770
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.074642105
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3F

Technology Process of 2-(2-Fluorophenyl)-5-phenyloxazole

There total 6 articles about 2-(2-Fluorophenyl)-5-phenyloxazole 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: 85.0%

N-[(2,2-dimethylpropanoyl)oxy]-2-fluorobenzamide + phenylacetylene (536-74-3) → 2-(2-fluorophenyl)-5-phenyloxazole (391-07-1)

Guidance literature:

With [(1,2,3,4,5-pentamethylcyclopentadienyl)*Co(CH₃CN)₃](SbF₆)₂; In 1,2-dichloro-ethane; at 80 ℃; for 20h;

DOI:10.1039/c7cc08611c

Reference yield: 72.0%

2-fluoro-N-phenethylbenzamide (304884-81-9) → 2-(2-fluorophenyl)-5-phenyloxazole (391-07-1)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In acetonitrile; at 100 ℃; for 36h;

DOI:10.1039/c5ra13441b

Reference yield:

2-Fluorobenzoyl chloride (393-52-2) → 2-(2-fluorophenyl)-5-phenyloxazole (391-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: concentrated H₂SO₄

With pyridine; sulfuric acid;

DOI:10.1021/ja01612a041

upstream raw materials:

2-fluoro-benzoic acid phenacylamide

2-aminoacetophenone hydrochloride

2-Fluorobenzoyl chloride

2-fluoro-N-phenethylbenzamide

Refernces

• 1、 Samanta, Supravat,Donthiri, Ramachandra Reddy,Dinda, Milan,Adimurthy, Subbarayappa. "Iodine catalysed intramolecular C(sp3)-H functionalization: synthesis of 2,5-disubstituted oxazoles from N-arylethylamides". . p. 66718 - 66722. Retrieved 2015/08/24.