2-Chloro-3-ethylquinoxaline

Base Information

• Chemical Name: 2-Chloro-3-ethylquinoxaline
• CAS No.: 77186-62-0
• Molecular Formula: C10H9ClN2
• Molecular Weight: 192.64
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60381468
• Wikidata: Q82172307
• Mol file: 77186-62-0.mol

Synonyms:2-chloro-3-ethylquinoxaline;77186-62-0;SCHEMBL10009532;DTXSID60381468;MTHNWHRBVIADBZ-UHFFFAOYSA-N;CDA18662;MFCD00052599;AKOS006230456;KE-0709;CS-0012568;FT-0682647;Y11651;A917916;J-508643

Chemical Property of 2-Chloro-3-ethylquinoxaline

Chemical Property:

• Vapor Pressure: 0.0198mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 260.5 °C at 760 mmHg
• Flash Point: 136.5 °C
• PSA: 25.78000
• Density: 1.244 g/cm³
• LogP: 2.84560
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.0454260
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-3-ethylquinoxaline >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=CC=CC=C2N=C1Cl

Technology Process of 2-Chloro-3-ethylquinoxaline

There total 4 articles about 2-Chloro-3-ethylquinoxaline 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: 88.0%

3-ethyl-3,4-dihydroquinoxalin-2(1H)-one (13297-35-3) → 2-chloro-3-ethylquinoxaline (77186-62-0)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/cmdc.201300032

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-chloro-3-ethylquinoxaline (77186-62-0)

Guidance literature:

Multi-step reaction with 3 steps

2: aqueous KOH / anschliessendes Behandeln mit wss. HCl

3: POCl₃

With potassium hydroxide; trichlorophosphate;

DOI:10.1021/ja01151a073

Reference yield:

ethyl 2-(3,4-dihydro-3-oxo-2-quinoxalinyl)propanoate (63186-18-5) → 2-chloro-3-ethylquinoxaline (77186-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous KOH / anschliessendes Behandeln mit wss. HCl

2: POCl₃

With potassium hydroxide; trichlorophosphate;

DOI:10.1021/ja01151a073

upstream raw materials:

3-ethyl-3,4-dihydroquinoxalin-2(1H)-one

ethyl 2-(3,4-dihydro-3-oxo-2-quinoxalinyl)propanoate

1,2-diamino-benzene

Downstream raw materials:

1-(2-chlorophenyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

Refernces

• 1、 Thompson, Andrew J.,Verheij, Mark H. P.,VanMuijlwijk-Koezen, Jacqueline E.,Lummis, Sarah C. R.,Leurs, Rob,DeEsch, Iwan J. P.. "Structure-Activity Relationships of Quinoxaline-Based 5-HT3A and 5-HT3AB Receptor-Selective Ligands". . p. 946 - 955. Retrieved 2013/07/27.