2,4-Dimethylbenzoxazole

Base Information

• Chemical Name: 2,4-Dimethylbenzoxazole
• CAS No.: 72692-90-1
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.177
• Hs Code.: 2934999090
• UNII: GXV3QFL3VZ
• Nikkaji Number: J182.536D
• Mol file: 72692-90-1.mol

Synonyms:2,4-Dimethylbenzoxazole;72692-90-1;2,4-Dimethylbenzo[d]oxazole;2,4-Dimethyl-1,3-benzoxazole;Benzoxazole, 2,4-dimethyl-;GXV3QFL3VZ;MFCD21641329;2,4-Dimethylbenzoxazol;UNII-GXV3QFL3VZ;SCHEMBL5537231;2 pound not4-Dimethylbenzoxazole;XCA69290;AKOS022184195;AS-32120;DA-17660;SY018726;CS-0455236

Chemical Property of 2,4-Dimethylbenzoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.44460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethylbenzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)OC(=N2)C

Technology Process of 2,4-Dimethylbenzoxazole

There total 6 articles about 2,4-Dimethylbenzoxazole 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: 88.0%

Trimethyl orthoacetate (1445-45-0) + 3-methyl-2-nitrophenol (4920-77-8) → 2,4-dimethylbenzoxazole (72692-90-1)

Guidance literature:

With indium; acetic acid; In benzene; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2009.08.059

Reference yield: 85.0%

ethylamine (75-04-7,85404-22-4) + 3-methylbenzene-1,2-diol (488-17-5) → 2,4-dimethylbenzoxazole (72692-90-1)

Guidance literature:

With iron oxide; In ethanol; at 25 ℃; for 4h;

DOI:10.1002/adsc.201901096

Reference yield: 77.0%

Trimethyl orthoacetate (1445-45-0) + 2-amino-3-methylphenol (2835-97-4) → 2,4-dimethylbenzoxazole (72692-90-1)

Guidance literature:

In neat (no solvent); for 0.333333h; Reflux; Inert atmosphere;

DOI:10.1021/ja412563e

upstream raw materials:

2-amino-3-methylphenol

deca-1,3-diyne

Trimethyl orthoacetate

3-methyl-2-nitrophenol

Refernces

• 1、 Wang, Biying,Jiang, Chengfei,Qian, Jiasheng,Zhang, Shuwei,Jia, Xiaodong,Yuan, Yu. "Synthesis of 2-methylbenzoxazoles directly from: N -phenylacetamides catalyzed by palladium acetate". . p. 101 - 107. Retrieved 2017/12/27.
• 2、 Lee, Jung June,Kim, Jihye,Jun, Young Moo,Lee, Byung Min,Kim, Byeong Hyo. "Indium-mediated one-pot synthesis of benzoxazoles or oxazoles from 2-nitrophenols or 1-aryl-2-nitroethanones". experimental part. p. 8821 - 8831. Retrieved 2009/12/26.