2-(Tribromomethyl)quinoxaline

Base Information

• Chemical Name: 2-(Tribromomethyl)quinoxaline
• CAS No.: 7251-36-7
• Molecular Formula: C9H5Br3N2
• Molecular Weight: 380.8614
• Hs Code.: 2933990090
• European Community (EC) Number: 654-366-7
• NSC Number: 71311
• DSSTox Substance ID: DTXSID00222826
• Nikkaji Number: J48.376A
• Wikidata: Q83101170
• Mol file: 7251-36-7.mol

Synonyms:2-(Tribromomethyl)quinoxaline;2-Tribromomethylquinoxaline;Quinoxaline, 2-(tribromomethyl)-;7251-36-7;NSC 71311;BRN 0157314;NSC71311;NCIOpen2_008565;4-23-00-01253 (Beilstein Handbook Reference);SCHEMBL5720367;WLN: T66 BN ENJ CXEEE;DTXSID00222826;VCCOPRMZNNMFLI-UHFFFAOYSA-N;NSC-71311;AKOS024429114

Chemical Property of 2-(Tribromomethyl)quinoxaline

Chemical Property:

• Vapor Pressure: 2.77E-05mmHg at 25°C
• Boiling Point: 368°Cat760mmHg
• Flash Point: 176.4°C
• PSA: 25.78000
• Density: 2.284g/cm³
• LogP: 3.92480
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 379.79824
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99%min ^*data from raw suppliers

2-TRIBROMOMETHYLQUINOXALINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(Tribromomethyl)quinoxaline

There total 4 articles about 2-(Tribromomethyl)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: 62.0%

2-methylquinoxaline (7251-61-8) → 2-(bromomethyl)quinoxaline (54804-43-2) + 2-(dibromomethyl)quinoxaline (32601-90-4) + 2-(Tribromomethyl)quinoxaline (7251-36-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 80 ℃; for 5h;

DOI:10.1039/b001296n

Reference yield:

2-methylquinoxaline (7251-61-8) → 2-(Tribromomethyl)quinoxaline (7251-36-7)

Guidance literature:

With bromine; sodium acetate; acetic acid; at 70 ℃;

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-(Tribromomethyl)quinoxaline (7251-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium metabisulfite / H₂O / 0.17 h

1.2: 91 percent / H₂O / 18 h / 20 °C

2.1: 2 percent / NBS; benzoyl peroxide / CCl₄ / 5 h / 80 °C

With sodium disulfite; N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; water; 1.1: Addition / 1.2: Condensation / 2.1: Bromination;

DOI:10.1039/b001296n

upstream raw materials:

2-methylquinoxaline

bromine

sodium acetate

acetic acid

Downstream raw materials:

quinoxaline-2-carboxylic acid

2-(dibromomethyl)quinoxaline

Refernces