2-(4-Bromophenyl)-5-chloro-1,3-benzoxazole

Base Information

• Chemical Name: 2-(4-Bromophenyl)-5-chloro-1,3-benzoxazole
• CAS No.: 122351-86-4
• Molecular Formula: C13H7BrClNO
• Molecular Weight: 308.562
• DSSTox Substance ID: DTXSID70358227
• Wikidata: Q82138652
• Mol file: 122351-86-4.mol

Synonyms:2-(4-bromophenyl)-5-chloro-1,3-benzoxazole;122351-86-4;2-(4-Bromophenyl)-5-chlorobenzo[d]oxazole;SCHEMBL23748361;DTXSID70358227;CHEMBRDG-BB 6513408;MFCD01974201;STK068887;AKOS003262938;CS-0358694

Chemical Property of 2-(4-Bromophenyl)-5-chloro-1,3-benzoxazole

Chemical Property:

• Vapor Pressure: 2.35E-05mmHg at 25°C
• Boiling Point: 370.5°C at 760 mmHg
• Flash Point: 177.9°C
• Density: 1.598g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 306.93995
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)Br

Technology Process of 2-(4-Bromophenyl)-5-chloro-1,3-benzoxazole

There total 6 articles about 2-(4-Bromophenyl)-5-chloro-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%

4-bromo-benzaldehyde (1122-91-4) + 5-chloro-benzoxazole (17200-29-2) → 2-(4-bromophenyl)-5-chlorobenzo[d]oxazole (122351-86-4)

Guidance literature:

With ethylene glycol; zinc(II) chloride; In neat (no solvent); at 120 ℃; for 6h; Green chemistry;

DOI:10.1039/c8ra01094c

Reference yield: 85.0%

(E)-2-((4-bromobenzylidene)amino)-4-chlorophenol → 2-(4-bromophenyl)-5-chlorobenzo[d]oxazole (122351-86-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; eosin Y bis(tetrabutyl ammonium salt); at 20 ℃; under 760.051 Torr; chemoselective reaction; Irradiation;

DOI:10.1039/c4gc00337c

Reference yield: 76.0%

4-bromo-benzaldehyde (1122-91-4) + 2-hydroxy-5-chloro-aniline (95-85-2) → 2-(4-bromophenyl)-5-chlorobenzo[d]oxazole (122351-86-4)

Guidance literature:

With ruthenium(III) chloride trihydrate; oxygen; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 80 ℃; for 10h; Air atmosphere;

DOI:10.1002/cjoc.201190156

upstream raw materials:

4-bromo-benzaldehyde

2-hydroxy-5-chloro-aniline

5-chloro-benzoxazole

4-chlorobenzoyl chloride