5-Methyl-2-phenylbenzoxazole

Base Information

• Chemical Name: 5-Methyl-2-phenylbenzoxazole
• CAS No.: 7420-86-2
• Molecular Formula: C14H11 N O
• Molecular Weight: 209.247
• European Community (EC) Number: 231-040-9
• UNII: 51X3IK0GBZ
• DSSTox Substance ID: DTXSID60225196
• Nikkaji Number: J278.824A
• Wikidata: Q27260929
• ChEMBL ID: CHEMBL442925
• Mol file: 7420-86-2.mol

Synonyms:2-phenyl-5-methyl-benzoxazole;witisol

Chemical Property of 5-Methyl-2-phenylbenzoxazole

Chemical Property:

• Vapor Pressure: 0.000847mmHg at 25°C
• Melting Point: 108 °C
• Boiling Point: 314.7°C at 760 mmHg
• PKA: 2?+-.0.10(Predicted)
• Flash Point: 128°C
• Density: 1.155g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

5-METHYL-2-PHENYL-BENZOOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3

Technology Process of 5-Methyl-2-phenylbenzoxazole

There total 131 articles about 5-Methyl-2-phenylbenzoxazole 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: 98.0%

methyl 3-oxo-3-phenylpropanedithioate (20365-21-3) + 3-amino-4-hydroxytoluene (95-84-1) → 5-methyl-2-phenyl-1,3-benzoxazole (7420-86-2)

Guidance literature:

With toluene-4-sulfonic acid; In neat (no solvent); at 90 ℃; for 10h; Reagent/catalyst;

DOI:10.1016/j.tet.2016.12.073

Reference yield: 96.0%

benzoyl chloride (98-88-4) + 3-amino-4-hydroxytoluene (95-84-1) → 5-methyl-2-phenyl-1,3-benzoxazole (7420-86-2)

Guidance literature:

With Al-Cu-Cl^- hydrotalcite; at 60 ℃; for 1h;

DOI:10.1016/j.catcom.2017.01.005

Reference yield: 95.0%

5-methyl-1,3-benzoxazole (10531-78-9) + bromobenzene (108-86-1,52753-63-6) → 5-methyl-2-phenyl-1,3-benzoxazole (7420-86-2)

Guidance literature:

With ({3-{2-{[2-(diphenylphosphino-κP)-benzylidene]amino}ethyl}-1-methylimidazole-2-yl})(bischloro)Palladium(II); lithium tert-butoxide; In 1,2-dimethoxyethane; at 90 ℃; for 24h; Time; Schlenk technique;

DOI:10.1021/acs.organomet.8b00005

upstream raw materials:

pyridine

2-hydroxy-5-methylbenzophenone (E) oxime

benzenesulfonyl chloride

ethanol

Downstream raw materials:

5-methyl-2-(2-hydroxyphenyl)benzoxazole

3-amino-4-hydroxytoluene

benzoic acid

5-bromomethyl-2-phenyl-benzooxazole

Refernces

• 1、 Rao, Mugada Sugunakara,Hussain, Sahid. "One-Pot, Borax-mediated synthesis of structurally diverse N, S-heterocycles in water". . . Retrieved 2021/05/26.
• 2、 Datta, Arup. "Dowex 50W: A green mild reusable catalyst for the synthesis of 2-aryl benzoxazole derivatives in aqueous medium". . p. 341 - 347. Retrieved 2021/05/19.