6-Bromo-2-chloroquinoxaline

Base Information

• Chemical Name: 6-Bromo-2-chloroquinoxaline
• CAS No.: 55687-02-0
• Molecular Formula: C8H4BrClN2
• Molecular Weight: 243.49
• Hs Code.: 2933990090
• European Community (EC) Number: 846-937-6
• DSSTox Substance ID: DTXSID60506876
• Wikidata: Q72453613
• Mol file: 55687-02-0.mol

Synonyms:6-bromo-2-chloroquinoxaline;55687-02-0;Quinoxaline, 6-bromo-2-chloro-;6-bromo-2-chloro-quinoxaline;C8H4BrClN2;MFCD09260998;2-CHLORO-6-BROMOQUINOXALINE;6-bromo-2-chloro quinoxaline;SCHEMBL780275;DTXSID60506876;XDJDRCGDVKTDHY-UHFFFAOYSA-N;AKOS015851205;CS-W006016;PB25125;6-bromo-2-chloroquinoxaline, AldrichCPR;DS-10813;SY029802;AM20070366;FT-0648972;EN300-1693938;A830751;J-518325;Z1269173200

Chemical Property of 6-Bromo-2-chloroquinoxaline

Chemical Property:

• Vapor Pressure: 0.000966mmHg at 25°C
• Melting Point: 150-152.5 °C
• Refractive Index: 1.691
• Boiling Point: 312.5 °C at 760 mmHg
• PKA: -2.46±0.30(Predicted)
• Flash Point: 142.8 °C
• PSA: 25.78000
• Density: 1.762 g/cm³
• LogP: 3.04570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 241.92464
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

6-Bromo-2-chloroquinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC(=CN=C2C=C1Br)Cl

Technology Process of 6-Bromo-2-chloroquinoxaline

There total 8 articles about 6-Bromo-2-chloroquinoxaline 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: 92.0%

6-bromo-2-hydroxyquinoxaline → 6-bromo-2-chloro-quinoxaline (55687-02-0)

Guidance literature:

With trichlorophosphate; for 2h; Reflux;

Reference yield: 90.0%

6-bromoquinoxalin-2(1H)-one (55687-34-8) → 6-bromo-2-chloro-quinoxaline (55687-02-0)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1002/cmdc.201400045

Reference yield:

4-bromo-2-fluoronitrobenzene (321-23-3) → 6-bromo-2-chloro-quinoxaline (55687-02-0)

Guidance literature:

Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / Reflux

2: acetic acid; iron / 1 h / Reflux

3: dihydrogen peroxide; sodium hydroxide / water / 3.5 h / 0 - 80 °C

4: N,N-dimethyl-aniline; trichlorophosphate / 0.25 h / 15 °C / Reflux

With dihydrogen peroxide; iron; acetic acid; N,N-dimethyl-aniline; N-ethyl-N,N-diisopropylamine; sodium hydroxide; trichlorophosphate; In water; acetonitrile;

upstream raw materials:

6-bromoquinoxalin-2(1H)-one

quinoxalin-2⁽¹⁾-one

2-hydroxyquinoxaline

4-bromo-2-fluoronitrobenzene

Downstream raw materials:

6-bromo-quinoxalin-2-ylamine

6-Bromo-2-fluoro-quinoxaline

n-pentenyl alcohol

(6-bromo-quinoxalin-2-yl)[(R)-1-(3-methoxy-phenyl)ethyl]amine