2-(5-Phenyl-1,3-oxazol-2-yl)benzoate

Base Information

• Chemical Name: 2-(5-Phenyl-1,3-oxazol-2-yl)benzoate
• CAS No.: 23464-97-3
• Molecular Formula: C16H11NO3
• Molecular Weight: 265.26
• DSSTox Substance ID: DTXSID50946141
• Wikidata: Q82923653
• Mol file: 23464-97-3.mol

Synonyms:2-(5-phenyl-1,3-oxazol-2-yl)benzoate;DTXSID50946141

Chemical Property of 2-(5-Phenyl-1,3-oxazol-2-yl)benzoate

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Melting Point: 195-199 °C
• Boiling Point: 494.5 °C at 760 mmHg
• PKA: 3.45±0.36(Predicted)
• Flash Point: 252.9 °C
• Density: 1.271g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.066068181
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

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

2-(5-Phenyl-2-oxazolyl)benzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)[O-]

Technology Process of 2-(5-Phenyl-1,3-oxazol-2-yl)benzoate

There total 4 articles about 2-(5-Phenyl-1,3-oxazol-2-yl)benzoate 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:

2,5-diphenyloxazole (92-71-7) → 2-(2'-carboxyphenyl)-5-phenyl-1,3-oxazole (23464-97-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) Pd(OAc)2 / 1) AcOH, 80 deg C, 2 h, 2) THF, 80 deg C, 18 h, without THF in step 2) at 0 deg C, 18 h

2: 6M HCl / ethanol / 1.5 h / Heating

With hydrogenchloride; palladium diacetate; In ethanol;

Reference yield:

methyl o-(5-phenyl-2-oxazolyl)benzoate (56894-66-7) → 2-(2'-carboxyphenyl)-5-phenyl-1,3-oxazole (23464-97-3)

Guidance literature:

With hydrogenchloride; In ethanol; for 1.5h; Yield given; Heating;

Reference yield:

2-(phenacylcarbamoyl)benzoic acid (14498-33-0) → 2-(2'-carboxyphenyl)-5-phenyl-1,3-oxazole (23464-97-3)

Guidance literature:

With sulfuric acid;

upstream raw materials:

2-(phenacylcarbamoyl)benzoic acid

methyl o-(5-phenyl-2-oxazolyl)benzoate

phthalic anhydride

2-aminoacetophenone hydrochloride

Downstream raw materials:

2-(5-phenyloxazol-2-yl)benzoyl chloride

Refernces

• 1、 Sakakibara, Tsutomu,Kume, Takashi,Ohyabu, Takahiro,Hase, Tsunao. "Aromatic Carbonylation Regio-Controlled by Oxazole and Isoxazole Rings, Novel Route to Heterocycle-Substituted o-Benzoates". . p. 1694 - 1697. Retrieved 2007/10/02.