2-Chloro-7-methoxyquinoxaline

Base Information

• Chemical Name: 2-Chloro-7-methoxyquinoxaline
• CAS No.: 55686-93-6
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40506879
• Wikidata: Q82362842
• Mol file: 55686-93-6.mol

Synonyms:2-chloro-7-methoxyquinoxaline;55686-93-6;2-chloro-7-methoxy-quinoxaline;MFCD11846475;SCHEMBL559347;DTXSID40506879;WJDJKCAURKUNNC-UHFFFAOYSA-N;AMY29001;AKOS015904799;AS-50061;SY107727;CS-0019224;FT-0712496;O10751;A870133

Chemical Property of 2-Chloro-7-methoxyquinoxaline

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Melting Point: 102 °C
• Boiling Point: 297.3°C at 760 mmHg
• PKA: -1.61±0.30(Predicted)
• Flash Point: 133.6°C
• PSA: 35.01000
• Density: 1.333g/cm³
• LogP: 2.29180
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Chloro-7-methoxyquinoxaline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=NC(=CN=C2C=C1)Cl

Technology Process of 2-Chloro-7-methoxyquinoxaline

There total 11 articles about 2-Chloro-7-methoxyquinoxaline 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: 44.6%

7-methoxyquinoxalin-2(1H)-one (55687-30-4) + 6-methoxylquinoxalin-2(1H)-one (91192-32-4) → 2-chloro-7-methoxyquinoxaline (55686-93-6) + 6-methoxy-2-chloroquinoxaline (55687-11-1)

Guidance literature:

In ethyl acetate; trichlorophosphate;

Reference yield: 34.7%

glyoxylic acid ethyl ester (924-44-7) + 4-methoxy-1,2-phenylenediamine (102-51-2) → 2-chloro-7-methoxyquinoxaline (55686-93-6) + 6-methoxy-2-chloroquinoxaline (55687-11-1)

Guidance literature:

glyoxylic acid ethyl ester; 4-methoxy-1,2-phenylenediamine; In ethanol; Reflux;

With trichlorophosphate; for 3h; regioselective reaction; Reflux;

Reference yield: 11.0%

glyoxylic acid ethyl ester (924-44-7) + 4-methoxyphenylene-1,2-diamine dihydrochloride (59548-39-9) → 2-chloro-7-methoxyquinoxaline (55686-93-6) + 6-methoxy-2-chloroquinoxaline (55687-11-1) + 2,3-dichloro-6-methoxyquinoxaline (39267-04-4)

Guidance literature:

glyoxylic acid ethyl ester; 4-methoxyphenylene-1,2-diamine dihydrochloride; With sodium hydrogencarbonate; In ethanol; water; for 2h; Heating;

With trichlorophosphate; for 1h; Further stages.; Heating;

DOI:10.1016/j.bmcl.2007.10.055

upstream raw materials:

7-methoxyquinoxalin-2(1H)-one

Glyoxilic acid

4-methoxy-1,2-phenylenediamine

glyoxylic acid ethyl ester

Downstream raw materials:

7-methoxy-quinoxalin-2-ylamine

Refernces

• 1、 -. "BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 000178 - 000182. . Retrieved 2015/03/16.
• 2、 -. "Hepatitis C Virus Inhibitors". Page/Page column. . Retrieved 2013/06/26.