2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole

Base Information

• Chemical Name: 2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole
• CAS No.: 61712-42-3
• Molecular Formula: C14H10BrNO
• Molecular Weight: 288.143
• DSSTox Substance ID: DTXSID50355517
• Wikidata: Q82134471
• Mol file: 61712-42-3.mol

Synonyms:2-(3-bromophenyl)-5-methyl-1,3-benzoxazole;61712-42-3;HMS1585P20;SCHEMBL3137765;DTXSID50355517;MZFREZYSFXTNDD-UHFFFAOYSA-N;STK223361;AKOS003284172;2-(3-bromophenyl)-5-methylbenzoxazole;2-(3-Bromophenyl)-5-methyl-benzoxazole;2-(3-Bromophenyl)-5-methylbenzo[d]oxazole

Chemical Property of 2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 4.56570
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.99458
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

2-(3-BROMOPHENYL)-5-METHYL BENZOXAZOLE 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)Br

Technology Process of 2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole

There total 3 articles about 2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole 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: 85.0%

m-bromobenzoic aldehyde (3132-99-8) + 3-amino-4-hydroxytoluene (95-84-1) → 2-(3-bromophenyl)-5-methylbenzo[d]oxazole (61712-42-3)

Guidance literature:

m-bromobenzoic aldehyde; 3-amino-4-hydroxytoluene; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 0.5h;

With potassium carbonate; 1-n-butyl-3-methylimidazolim bromide; In 5,5-dimethyl-1,3-cyclohexadiene; for 15h;

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) + bis(4-methyl-1,2-benzoquinone 2-oximato)copper(II) → 2-(3-bromophenyl)-5-methylbenzo[d]oxazole (61712-42-3)

Guidance literature:

In tetralin; Heating;

DOI:10.1007/BF00945590

Reference yield:

→ 2-(3-bromophenyl)-5-methylbenzo[d]oxazole (61712-42-3)

Guidance literature:

upstream raw materials:

m-bromobenzoic aldehyde

3-amino-4-hydroxytoluene

Downstream raw materials:

2-(4-bromo-3',5'-dimethylbiphenyl-2-yl)-5-methylbenzoxazole

Refernces

• 1、 -. "Preparation method of 2-aryl benzoxazole and 2-aryl benzothiazole compounds". Paragraph 0014; 0015. . Retrieved 2017/08/29.
• 2、 -. "BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION". Page/Page column 45. . Retrieved 2008/06/13.