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

Base Information

• Chemical Name: 2-(3-Bromophenyl)-1,3-benzoxazole
• CAS No.: 99586-31-9
• Molecular Formula: C13H8BrNO
• Molecular Weight: 274.117
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID401309372
• Nikkaji Number: J2.606.597F
• ChEMBL ID: CHEMBL398927
• Mol file: 99586-31-9.mol

Synonyms:2-(3-bromophenyl)-1,3-benzoxazole;99586-31-9;2-(3-bromophenyl)benzo[d]oxazole;2-(3-bromophenyl)benzoxazole;CHEMBRDG-BB 4010237;Cambridge id 5804199;SCHEMBL751653;CHEMBL398927;2-(3-Bromo-phenyl)-benzooxazole;DTXSID401309372;MFCD01565105;STK080303;AKOS002231537;NCGC00327363-01;BS-36512;CS-0155912;2-(3-Bromophenyl)-1,3-benzoxazole AldrichCPR;F18752;2-(3-Bromophenyl)-1,3-benzoxazole, AldrichCPR;AB01322225-02

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

Chemical Property:

• Vapor Pressure: 9.21E-05mmHg at 25°C
• Melting Point: 136-138 °C
• Boiling Point: 349.9°C at 760 mmHg
• PKA: 0.98±0.10(Predicted)
• Flash Point: 165.4°C
• PSA: 26.03000
• Density: 1.514g/cm³
• LogP: 4.25730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 272.97893
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2-(3-bromophenyl)-1,3-benzoxazole 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)Br

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

There total 31 articles about 2-(3-Bromophenyl)-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: 100.0%

3-bromobenzoyl chloride (1711-09-7) + 2-bromoaniline (615-36-1) → 2‐(3‐bromophenyl)benzo[d]oxazole (99586-31-9)

Guidance literature:

With caesium carbonate; copper(l) iodide; 1,10-Phenanthroline; In 1,4-dioxane; at 120 ℃; for 24h; Product distribution / selectivity; Inert atmosphere;

Reference yield: 96.0%

m-bromobenzoic aldehyde (3132-99-8) + 2-amino-phenol (95-55-6) → 2‐(3‐bromophenyl)benzo[d]oxazole (99586-31-9)

Guidance literature:

With Amino glucose-functionalized silica-coated NiFe₂O₄ nanoparticles; at 20 ℃; for 0.133333h;

DOI:10.1016/j.jorganchem.2018.07.008

Reference yield: 96.0%

(3-Bromophenyl)methanol (15852-73-0) + 2-amino-phenol (95-55-6) → 2‐(3‐bromophenyl)benzo[d]oxazole (99586-31-9)

Guidance literature:

(3-Bromophenyl)methanol; With oxygen; at 106 ℃; for 0.216667h; under 3800.26 Torr; Flow reactor; Green chemistry;

2-amino-phenol; at 106 ℃; Flow reactor; Green chemistry;

at 106 ℃; for 0.666667h; Flow reactor; Green chemistry;

DOI:10.1039/c9gc01641d

upstream raw materials:

m-bromobenzoic acid

2-amino-phenol

m-bromobenzoic aldehyde

C₁₃H₉Br₂NO

Downstream raw materials:

2-(2-phenyl-5-bromophenyl)-1,3-benzoxazole

2-[2-(3-bromophenyl)-5-bromophenyl]-1,3-benzoxazole

2-[2-(4-methylphenyl)-5-bromophenyl]-1,3-benzoxazole

2-[3-(pyridin-3-yl)phenyl]benzoxazole