6-Bromobenzo[d]oxazole

Base Information

• Chemical Name: 6-Bromobenzo[d]oxazole
• CAS No.: 375369-14-5
• Molecular Formula: C7H4BrNO
• Molecular Weight: 198.019
• Hs Code.: 2934999090
• European Community (EC) Number: 803-952-2
• DSSTox Substance ID: DTXSID30591537
• Wikidata: Q72451822
• Mol file: 375369-14-5.mol

Synonyms:6-bromobenzo[d]oxazole;375369-14-5;6-bromobenzoxazole;6-bromo-1,3-benzoxazole;6-BROMO-BENZOOXAZOLE;Benzoxazole, 6-bromo-;MFCD03092891;SCHEMBL10842;6-bromobenzoxazole, AldrichCPR;DTXSID30591537;YXVFVHLEIBLKCA-UHFFFAOYSA-N;BCP21530;AKOS006279140;AB13141;CS-W002989;FS-2872;6-Bromobenzoxazole;SY021974;DB-069559;AM20040317;EN300-120733;A846712;J-518424;Z1198161423

Chemical Property of 6-Bromobenzo[d]oxazole

Chemical Property:

• Boiling Point: 251.2 °C at 760 mmHg
• PKA: -0.49±0.30(Predicted)
• Flash Point: 105.7 °C
• PSA: 26.03000
• Density: 1.71 g/cm³
• LogP: 2.59030
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.94763
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

6-Bromobenzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)OC=N2

Technology Process of 6-Bromobenzo[d]oxazole

There total 3 articles about 6-Bromobenzo[d]oxazole 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: 93.0%

2-amino-5-bromophenol (38191-34-3) + trimethyl orthoformate (149-73-5) → 6-bromo-benzo[d]oxazole (375369-14-5)

Guidance literature:

With toluene-4-sulfonic acid; at 80 ℃; for 1h; Inert atmosphere;

Reference yield: 93.0%

→ 6-bromo-benzo[d]oxazole (375369-14-5)

Guidance literature:

With caesium carbonate; In water; for 0.166667h; Microwave irradiation;

Reference yield: 48.0%

2-amino-5-bromophenol (38191-34-3) + orthoformic acid triethyl ester (122-51-0) → 6-bromo-benzo[d]oxazole (375369-14-5)

Guidance literature:

Reflux;

DOI:10.1039/c5cc06645j

upstream raw materials:

2-amino-5-bromophenol

orthoformic acid triethyl ester

trimethyl orthoformate

Downstream raw materials:

N-(5-(benzo[d]oxazol-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide

methyl 6-bromobenzo[d]oxazole-2-carboxylate

(6-bromobenzo[d]oxazol-2-yl)(phenyl)methanone