2-(4-Bromo-phenyl)-benzooxazole

Base Information

• Chemical Name: 2-(4-Bromo-phenyl)-benzooxazole
• CAS No.: 3164-13-4
• Molecular Formula: C13H8BrNO
• Molecular Weight: 274.117
• Hs Code.: 2934999090
• European Community (EC) Number: 835-412-7
• DSSTox Substance ID: DTXSID90511357
• Nikkaji Number: J358.182I
• Wikidata: Q72449229
• Mol file: 3164-13-4.mol

Synonyms:3164-13-4;2-(4-Bromo-phenyl)-benzooxazole;2-(4-bromophenyl)-1,3-benzoxazole;2-(4-bromophenyl)benzo[d]oxazole;2-(4-bromophenyl)benzoxazole;Benzoxazole,2-(4-bromophenyl)-;MFCD00168898;SCHEMBL309125;SCHEMBL4155693;DTXSID90511357;RBVHJNZMSBQFDK-UHFFFAOYSA-N;AKOS015901376;SB36546;AC-20986;AM803684;AS-60158;SY122979;B5017;CS-0039100;FT-0761885;A847769

Chemical Property of 2-(4-Bromo-phenyl)-benzooxazole

Chemical Property:

• Vapor Pressure: 0.000185mmHg at 25°C
• Melting Point: 158-159℃
• Refractive Index: 1.659
• Boiling Point: 339.1 °C at 760 mmHg
• PKA: 0.88±0.10(Predicted)
• Flash Point: 158.9 °C
• PSA: 26.03000
• Density: 1.514 g/cm³
• LogP: 4.25730
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• 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: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Bromo-Phenyl)-Benzooxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)Br
• Uses: 2-(4-Bromo-Phenyl)-Benzooxazole (cas# 3164-13-4) is a useful research chemical.

Technology Process of 2-(4-Bromo-phenyl)-benzooxazole

There total 62 articles about 2-(4-Bromo-phenyl)-benzooxazole 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: 99.0%

4-bromo-benzaldehyde (1122-91-4) + 2-amino-phenol (95-55-6) → 2-(4-bromophenyl)-1,3-benzoxazole (3164-13-4)

Guidance literature:

With ISO-PECH polyamine catalyst; In methanol; at 20 ℃; for 0.0333333h; Green chemistry;

DOI:10.1002/jhet.4046

Reference yield: 99.0%

(E)-N-(4-bromobenzylidene)-2-hydroxyaniline (117649-27-1) → 2-(4-bromophenyl)-1,3-benzoxazole (3164-13-4)

Guidance literature:

With oxygen; In 1,4-dioxane; at 65 ℃; for 24h;

DOI:10.1021/acs.oprd.6b00168

Reference yield: 95.0%

4-bromo-N-(2-bromophenyl)benzamide (349613-49-6) → 2-(4-bromophenyl)-1,3-benzoxazole (3164-13-4)

Guidance literature:

With copper(II) ferrite; potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0033-1340599

upstream raw materials:

4-bromo-benzaldehyde

2-amino-phenol

p-bromobenzamide

2-(4-bromo-benzylidenamino)-phenol

Downstream raw materials:

2-phenylbenzo[d]oxazole

2-<4-(3-hydroxy-3-methylbutyne-1-yl)phenyl>benzoxazole

4-(benzoxazol-2-yl)-4'-(3-phenylquinoxalin-2-yl)triphenylamine

C₃₉H₃₀N₂O

Refernces

• 1、 Sudhakar, Chithaluri,Shekhar, Vanam,Shyamsunder, Manchi,Suryakumari, Adurthi,Manojkumar, Vala. "An efficient rapid synthesis of benzoxazoles and benzothiazoles using pma.Sio2 at room temperature under heterogeneous conditions". . p. 583 - 587. Retrieved 2021/09/30.
• 2、 George, Smitha,Sreekumar, Krishnapillai. "Heterogeneous palladium (II)-complexed dendronized polymer: A rare palladium catalyst for the one-pot synthesis of 2-arylbenzoxazoles". . . Retrieved 2020/12/14.