5-Methyl-2-phenyloxazole

Base Information

• Chemical Name: 5-Methyl-2-phenyloxazole
• CAS No.: 5221-67-0
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2934999090
• NSC Number: 619205
• DSSTox Substance ID: DTXSID10289728
• Nikkaji Number: J109.304E
• Wikidata: Q82027171
• ChEMBL ID: CHEMBL1971007
• Mol file: 5221-67-0.mol

Synonyms:5-Methyl-2-phenyloxazole;5221-67-0;5-Methyl-2-phenyl-1,3-oxazole;Oxazole, 5-methyl-2-phenyl-;NSC619205;SCHEMBL734554;CHEMBL1971007;DTXSID10289728;5-Methyl-2-phenyl-1,3-oxazole #;AKOS006331123;NSC-619205;NCI60_005734;FT-0740878

Chemical Property of 5-Methyl-2-phenyloxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.65000
• XLogP3: 3.4
• 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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(O1)C2=CC=CC=C2

Technology Process of 5-Methyl-2-phenyloxazole

There total 76 articles about 5-Methyl-2-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: 100.0%

benzamidoacetone (50996-03-7) → 5-methyl-2-phenyloxazole (5221-67-0)

Guidance literature:

With Burgess Reagent; In tetrahydrofuran; for 0.0333333h; microwave irradiation;

DOI:10.1055/s-1999-2905

Reference yield: 95.0%

2-phenyl-5-methylene-4,5-dihydrooxazole (146896-52-8) → 5-methyl-2-phenyloxazole (5221-67-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; at 50 ℃; for 15h;

DOI:10.1021/jo00058a011

Reference yield: 91.0%

N-(prop-2-yn-1-yl)benzamide (1464-98-8) → 5-methyl-2-phenyloxazole (5221-67-0)

Guidance literature:

With cerium(III) chloride heptahydrate; iodine; sodium iodide; In acetonitrile; at 110 ℃; for 0.75h; Microwave irradiation;

DOI:10.1002/ejoc.201101302

upstream raw materials:

5-methyl-2-phenyl-oxazolidin-4-one

5-methyl-2-phenyloxazole-4-carboxylic acid

benzamidoacetone

glycine methyl ketone

Downstream raw materials:

5-methyl-3-phenylisoxazole

Trifluoro-methanesulfonate3,5-dimethyl-2-phenyl-oxazol-3-ium;

4,5-dimethoxy-5-methyl-2-phenyl-2-oxazoline

acetic acid

Refernces

• 1、 Harmata,Huang. "Erratum: Silver-Catalyzed preparation of oxazolines from N-propargylamides (Synlett (2008) (1399))". . p. 1190 - 1190. Retrieved 2014.
• 2、 He, Yuan,Liao, Xian-Zhang,Dong, Lin,Chen, Fen-Er. "Rh(iii)-Catalyzed three-component cascade annulation to produce theN-oxopropyl chain of isoquinolone derivatives". supporting information. p. 561 - 567. Retrieved 2021/02/06.
• 3、 Dong, Guizhi,Bao, Ming,Xie, Xiongda,Jia, Shikun,Hu, Wenhao,Xu, Xinfang. "Asymmetric Allylation by Chiral Organocatalyst-Promoted Formal Hetero-Ene Reactions of Alkylgold Intermediates". . p. 1992 - 1999. Retrieved 2020/11/30.