2-(4-Bromophenyl)quinoxaline

Base Information

• Chemical Name: 2-(4-Bromophenyl)quinoxaline
• CAS No.: 5021-45-4
• Molecular Formula: C14H9BrN2
• Molecular Weight: 285.143
• Hs Code.: 2933990090
• European Community (EC) Number: 637-118-2
• DSSTox Substance ID: DTXSID70354022
• Nikkaji Number: J1.447.566D
• Wikidata: Q82131942
• Mol file: 5021-45-4.mol

Synonyms:2-(4-bromophenyl)quinoxaline;5021-45-4;MFCD00222258;Quinoxaline, 2-(4-bromophenyl)-;ChemDiv1_022329;SCHEMBL973317;2-(4-bromo-phenyl)-quinoxaline;HMS650G21;DTXSID70354022;CHEMBRDG-BB 5128501;STK386793;2-(4-Bromophenyl)quinoxaline, 96%;AKOS001326222;CCG-107266;LS-07601;CS-0314019;EU-0072370;SR-01000441211;SR-01000441211-1;Z57254540;F0381-2652

Chemical Property of 2-(4-Bromophenyl)quinoxaline

Chemical Property:

• Vapor Pressure: 1.68E-06mmHg at 25°C
• Melting Point: 133-138 °C
• Boiling Point: 408.2oC at 760 mmHg
• PKA: 0.06±0.30(Predicted)
• Flash Point: 200.7oC
• PSA: 25.78000
• Density: 1.489g/cm3
• LogP: 4.05930
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 283.99491
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

95% ^*data from raw suppliers

2-(4-Bromophenyl)quinoxaline 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Br

Technology Process of 2-(4-Bromophenyl)quinoxaline

There total 44 articles about 2-(4-Bromophenyl)quinoxaline 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%

1-bromo-4-ethenyl-benzene (2039-82-9) + 1,2-diamino-benzene (95-54-5) → 2-(4-bromophenyl)quinoxaline (5021-45-4)

Guidance literature:

1-bromo-4-ethenyl-benzene; With tert.-butylhydroperoxide; water; iodine; at 120 ℃; for 1h; Sealed tube;

1,2-diamino-benzene; With dimethyl sulfoxide; at 120 ℃; for 2h; Sealed tube;

DOI:10.1039/c4ra08589b

Reference yield: 93.0%

2-benzoyl-4-(4-bromophenyl)-1-phenylbut-2-ene-1,4-dione (1434751-77-5) + 1,2-diamino-benzene (95-54-5) → 2-(4-bromophenyl)quinoxaline (5021-45-4)

Guidance literature:

With copper(II) acetate monohydrate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/chem.201403001

Reference yield: 88.0%

4-bromo-2-hydroxyacetophenone (3343-45-1) + 1,2-diamino-benzene (95-54-5) → 2-(4-bromophenyl)quinoxaline (5021-45-4)

Guidance literature:

With gallium(III) perchlorate; In ethanol; at 25 ℃;

DOI:10.1016/j.tetlet.2012.02.113

upstream raw materials:

1,2-dicarbomethoxycyclobutene

2-(4-Bromo-phenyl)-1-phenyl-1,1a-dihydro-3,7b-diaza-cyclopropa[a]naphthalene

1-(4-bromophenyl)-4-phenyl-2-butene-1,4-dione

1,2-diamino-benzene

Refernces

• 1、 Deshmukh, Tejshri R.,Dhumal, Sambhaji T.,Karale, Akshay Y.,Patil, Meghshyam K.,Shelke, Sushil V.. "A facile synthesis of quinoxalines by using SO42?/ZrO2-TiO2 as an efficient and recyclable heterogeneous catalyst". supporting information. . Retrieved 2022/03/02.
• 2、 -. "Method for synthesizing 2-aryl quinoxaline and 3-aryl quinoxaline-2(1H)-one based on mechanical grinding of aryl diazonium salt". Paragraph 0128-0133. . Retrieved 2022/04/06.