Ethyl 3-Chloroquinoxaline-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-Chloroquinoxaline-2-carboxylate
• CAS No.: 49679-45-0
• Molecular Formula: C11H9ClN2O2
• Molecular Weight: 236.658
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00484240
• Nikkaji Number: J2.371.807C
• Wikidata: Q72473822
• Mol file: 49679-45-0.mol

Synonyms:Ethyl 3-Chloroquinoxaline-2-carboxylate;49679-45-0;C11H9ClN2O2;MFCD09953512;3-Chloroquinoxaline-2-carboxylic acid ethyl ester;ETHYL3-CHLOROQUINOXALINE-2-CARBOXYLATE;2-Quinoxalinecarboxylic acid, 3-chloro-, ethyl ester;3-Chloroquinoxaline-2-carboxylic acidethyl ester;SCHEMBL2019580;DTXSID00484240;2-chloro-3-carbethoxy-quinoxaline;YGTZHKWLTOJGOI-UHFFFAOYSA-N;CL1018;AKOS005765945;AB55349;AC-7195;CS-W003698;GE-0721;SY005040;AM20070442;FT-0647631;A24742;EN300-7388352;2-Chloro-3-quinoxalinecarboxylic acid ethyl ester;2-Chloro-3-quinoxalinecarboxylic acid, ethyl ester;2-Quinoxalinecarboxylicacid,3-chloro-,ethyl ester;J-520871;Z1741974197

Chemical Property of Ethyl 3-Chloroquinoxaline-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 41-42℃
• Refractive Index: 1.615
• Boiling Point: 330.7 °C at 760 mmHg
• PKA: -5.14±0.48(Predicted)
• Flash Point: 153.8 °C
• PSA: 52.08000
• Density: 1.341 g/cm³
• LogP: 2.45990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.0352552
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 3-chloroquinoxaline-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC2=CC=CC=C2N=C1Cl

Technology Process of Ethyl 3-Chloroquinoxaline-2-carboxylate

There total 12 articles about Ethyl 3-Chloroquinoxaline-2-carboxylate 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: 100.0%

ethyl 3-oxo-4H-quinoxaline-2-carboxylate (36818-07-2) → ethyl 3-chloroquinoxaline-2-carboxylate (49679-45-0)

Guidance literature:

With N,N-dimethyl-formamide; trichlorophosphate; at 0 ℃; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2018.04.056

Reference yield: 91.7%

ethyl-3-hydroxy-quinoxaline-2-carboxylate (36818-07-2) → ethyl 3-chloroquinoxaline-2-carboxylate (49679-45-0)

Guidance literature:

With N,N-dimethyl-formamide; trichlorophosphate; at 110 ℃; for 1h;

DOI:10.1016/j.jconrel.2021.02.028

Reference yield:

Diethyl ketomalonate (609-09-6) → ethyl 3-chloroquinoxaline-2-carboxylate (49679-45-0)

Guidance literature:

Multi-step reaction with 2 steps

2: phosphorous oxychloride

With trichlorophosphate;

upstream raw materials:

ethyl 2-quinoxalinecarboxylate 4-oxide

ethyl 3-oxo-4H-quinoxaline-2-carboxylate

ethyl-3-hydroxy-quinoxaline-2-carboxylate

diethyl malonate

Downstream raw materials:

3-(4-ethoxycarbonylmethyl-phenylamino)-quinoxaline-2-carboxylic acid ethyl ester

C₁₉H₁₉N₃O₂

C₂₀H₁₉ClN₄O₂

C₂₁H₁₉F₃N₄O₂