2-Methyl-4-phenyloxazole

Base Information

• Chemical Name: 2-Methyl-4-phenyloxazole
• CAS No.: 20662-90-2
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID7066641
• Nikkaji Number: J112.930I
• Wikidata: Q81993218
• Mol file: 20662-90-2.mol

Synonyms:2-Methyl-4-phenyloxazole;20662-90-2;2-methyl-4-phenyl-1,3-oxazole;Oxazole, 2-methyl-4-phenyl-;SCHEMBL2265105;DTXSID7066641;CS-0336498

Chemical Property of 2-Methyl-4-phenyloxazole

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 265.5oC at 760 mmHg
• Flash Point: 104.6oC
• PSA: 26.03000
• Density: 1.082g/cm3
• LogP: 2.65000
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-4-phenyloxazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CO1)C2=CC=CC=C2

Technology Process of 2-Methyl-4-phenyloxazole

There total 33 articles about 2-Methyl-4-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: 95.0%

2-Acetyl-3-phenylisoxazol-5(2H)-one (31499-91-9) → 2-methyl-4-phenyloxazole (20662-90-2) + Acetanilid (103-84-4)

Guidance literature:

at 595 ℃; for 0.5h; under 0.05 Torr;

DOI:10.1039/a700134g

Reference yield: 95.0%

2-Acetyl-3-phenylisoxazol-5(2H)-one (31499-91-9) → 2-methyl-4-phenyloxazole (20662-90-2)

Guidance literature:

at 540 - 600 ℃; for 1h; under 0.01 Torr;

DOI:10.1016/0040-4039(95)02240-6

Reference yield: 94.0%

C10H10INO → 2-methyl-4-phenyloxazole (20662-90-2)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere;

DOI:10.1002/chem.201301785

upstream raw materials:

2-acetoxyacetophenone

acetamide

α-bromoacetophenone

4-methyl-2-phenyloxazole

Downstream raw materials:

5-chloro-2-methyl-4-phenyloxazole

(R)-N-((5-chloro-4-phenyloxazol-2-yl)methyl)-1-phenylethanamine

2-(bromomethyl)-5-chloro-4-phenyloxazole

(4S)-4,5-dihydro-2-methyl-4-phenyl-1,3-oxazole

Refernces

• 1、 Yoneyama, Hiroki,Oka, Naoki,Usami, Yoshihide,Harusawa, Shinya. "A novel synthetic method of 2,4-disubstituted oxazoles using carboxylic acid-derived Bu2Sn[OC(O)R]2". supporting information. . Retrieved 2020/05/21.
• 2、 Xu, Kang,Yang, Ruiqi,Yang, Shuang,Jiang, Cheng,Ding, Zhenhua. "Hypervalent iodane mediated reactions of: N -acetyl enamines for the synthesis of oxazoles and imidazoles". supporting information. p. 8977 - 8981. Retrieved 2019/10/28.