2,6-Dimethylbenzoxazole

Base Information

• Chemical Name: 2,6-Dimethylbenzoxazole
• CAS No.: 53012-61-6
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID20369303
• Nikkaji Number: J182.537B
• Wikidata: Q82156356
• Mol file: 53012-61-6.mol

Synonyms:2,6-DIMETHYLBENZOXAZOLE;53012-61-6;2,6-dimethyl-1,3-benzoxazole;2,6-dimethylbenzo[d]oxazole;2,6-Dimethylbenzoxazol;2,6-dimethyl-benzooxazole;SCHEMBL5541680;DTXSID20369303;AC6304;MFCD00629001;AKOS003247526;SY130000;FT-0738089;A923391

Chemical Property of 2,6-Dimethylbenzoxazole

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.138mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 224.2 °C at 760 mmHg
• Flash Point: 85.1 °C
• PSA: 26.03000
• Density: 1.113 g/cm³
• 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

2,6-DIMETHYLBENZOXAZOLE 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)N=C(O2)C

Technology Process of 2,6-Dimethylbenzoxazole

There total 18 articles about 2,6-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%

1-(2-hydroxy-4-methyl-phenyl)-ethanone oxime (25172-51-4,27655-88-5,36380-97-9) → 2,6-dimethyl-1,3-benzoxazole (53012-61-6)

Guidance literature:

With diethyl chlorophosphate; In toluene; for 0.0833333h; Reflux;

DOI:10.1055/s-2008-1072767

Reference yield: 86.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 2-Hydroxy-4-methylanilin (2835-98-5) → 2,6-dimethyl-1,3-benzoxazole (53012-61-6)

Guidance literature:

With Imidazole hydrochloride; at 160 ℃; for 8h; Temperature; Schlenk technique; Green chemistry;

DOI:10.3390/molecules24010174

Reference yield: 86.0%

→ 2,6-dimethyl-1,3-benzoxazole (53012-61-6)

Guidance literature:

With Imidazole hydrochloride; at 160 ℃; for 8h;

upstream raw materials:

3,7-dimethyl-2H-benz[b][1,4]oxazin-2-one

C₁₃H₁₀F₆NO₅Tl

2-Hydroxy-4-methylanilin

deca-1,3-diyne

Refernces

• 1、 -. "Synthesis method of 2-substituted benzoxazole, 2-substituted benzothiazole and derivatives thereof". Paragraph 0040; 0052-0053. . Retrieved 2019/02/10.
• 2、 D?rr, Maurice,Lips, Sebastian,Martínez-Huitle, Carlos Alberto,Schollmeyer, Dieter,Franke, Robert,Waldvogel, Siegfried R.. "Synthesis of Highly Functionalized N,N-Diarylamides by an Anodic C,N-Coupling Reaction". supporting information. p. 7835 - 7838. Retrieved 2019/05/21.