6-(Bromomethyl)quinoxaline

Base Information

• Chemical Name: 6-(Bromomethyl)quinoxaline
• CAS No.: 53967-21-8
• Molecular Formula: C9H7BrN2
• Molecular Weight: 223.072
• Hs Code.: 2933990090
• European Community (EC) Number: 862-422-9
• DSSTox Substance ID: DTXSID50436779
• Wikidata: Q82252087
• Mol file: 53967-21-8.mol

Synonyms:6-(bromomethyl)quinoxaline;53967-21-8;6-bromomethylquinoxaline;6-bromomethyl-quinoxaline;6-(bromomethyl)-quinoxaline;SCHEMBL843959;DTXSID50436779;DMLZDWGHHYSKGY-UHFFFAOYSA-N;MFCD11559042;AKOS012170079;DS-5274;FT-0740856;EN300-266402;A829868

Chemical Property of 6-(Bromomethyl)quinoxaline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.684
• Boiling Point: 325.714 °C at 760 mmHg
• PKA: 0.52±0.30(Predicted)
• Flash Point: 150.786 °C
• PSA: 25.78000
• Density: 1.599 g/cm³
• LogP: 2.52470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.97926
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

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

6-(BROMOMETHYL)QUINOXALINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CN=C2C=C1CBr

Technology Process of 6-(Bromomethyl)quinoxaline

There total 5 articles about 6-(Bromomethyl)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: 77.0%

6-methylquinoxaline (6344-72-5) → C9H6Br2N2 + 6-bromomethyl-quinoxaline (53967-21-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; for 5h; Heating / reflux;

Reference yield: 60.0%

6-methylquinoxaline (6344-72-5) → 6-bromomethyl-quinoxaline (53967-21-8)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 80 ℃; Inert atmosphere;

DOI:10.1002/cmdc.201600563

Reference yield:

6-methylquinoxaline (6344-72-5) → 6-bromomethyl-quinoxaline (53967-21-8) + 6-hydroxymethyl-quinoxaline (488834-75-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In 1,2-dichloro-ethane;

upstream raw materials:

6-methylquinoxaline

quinoxaline-6-carbaldehyde

Downstream raw materials:

4-[5-fluoro-3-(quinoxalin-6-ylmethoxy)phenyl]-4-methoxytetrahydropyran

WAY-207024

6-hydroxymethyl-quinoxaline

Refernces

• 1、 Giroud, Maude,Ivkovic, Jakov,Martignoni, Mara,Fleuti, Marianne,Trapp, Nils,Haap, Wolfgang,Kuglstatter, Andreas,Benz, J?rg,Kuhn, Bernd,Schirmeister, Tanja,Diederich, Fran?ois. "Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide???Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket". supporting information. p. 257 - 270. Retrieved 2017/02/15.
• 2、 -. "BENZOXAZINE DERIVATIVES AS GLYCINE TRANSPORT INHIBITORS". Page/Page column 74-75. . Retrieved 2011/04/14.