Methyl quinoxaline-6-carboxylate

Base Information

• Chemical Name: Methyl quinoxaline-6-carboxylate
• CAS No.: 23088-23-5
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.18
• Hs Code.: 2933990090
• European Community (EC) Number: 625-472-0
• DSSTox Substance ID: DTXSID60381761
• Wikidata: Q72497455
• ChEMBL ID: CHEMBL1572657
• Mol file: 23088-23-5.mol

Synonyms:methyl quinoxaline-6-carboxylate;23088-23-5;Methyl 6-Quinoxalinecarboxylate;6-Quinoxalinecarboxylic acid, methyl ester;MFCD00102618;Maybridge1_006081;MLS000861066;SCHEMBL479966;CHEMBL1572657;methyl quinoxaline-7-carboxylate;HMS558M09;DTXSID60381761;VFPWJISMXACHIG-UHFFFAOYSA-N;HMS2796D22;CCG-45398;AKOS005069540;Methyl 6-quinoxalinecarboxylate, 97%;AC-7348;SDCCGMLS-0066193.P001;6-Quinoxalinecarboxylic acid methyl ester;SMR000459850;SY005841;Quinoxaline-6-carboxylic acid methyl ester;CS-0061852;FT-0628803;A878334;11X-0803;SR-01000635167-1;W-206809;Methyl quinoxaline-6-carboxylate

Chemical Property of Methyl quinoxaline-6-carboxylate

Chemical Property:

• Vapor Pressure: 0.000366mmHg at 25°C
• Melting Point: 99 °C
• Refractive Index: 1.621
• Boiling Point: 318.2 °C at 760 mmHg
• PKA: -0.31±0.30(Predicted)
• Flash Point: 146.3 °C
• PSA: 52.08000
• Density: 1.272 g/cm³
• LogP: 1.41640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

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

Methylquinoxaline-6-carboxylate 99.36% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC2=NC=CN=C2C=C1

Technology Process of Methyl quinoxaline-6-carboxylate

There total 5 articles about Methyl quinoxaline-6-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: 96.7%

2,3-dihydroxy-1,4-dioxane (4845-50-5) + Methyl 3,4-diaminobenzoate (36692-49-6) → methyl quinoxaline-6-carboxylate (23088-23-5)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃; for 8h; Temperature;

Reference yield: 93.0%

Glyoxal (131543-46-9,107-22-2) + 3,4-diaminobenzoic acid (619-05-6) → methyl quinoxaline-6-carboxylate (23088-23-5)

Guidance literature:

In water; isopropyl alcohol; at 80 ℃; for 2h;

Reference yield:

3,4-diaminobenzoic acid (619-05-6) → methyl quinoxaline-6-carboxylate (23088-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 12 h / 90 °C

2: N,N-dimethyl-formamide / 8 h / 90 °C

With sulfuric acid; In N,N-dimethyl-formamide;

upstream raw materials:

Glyoxal

3,4-diaminobenzoic acid

2,3-dihydroxy-1,4-dioxane

Methyl 3,4-diaminobenzoate

Downstream raw materials:

1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid methyl ester

2-(2-chloro-4-methoxy-phenyl)-1-quinoxalin-6-yl-ethanone

quinoxaline-6-carboxylic acid

quinoxaline-6-carbonyl chloride

Refernces

• 1、 -. "Methyl 1,2,3,4-tetrahydroquinoxaline-6-carboxylate and preparation method thereof". Paragraph 0015; 0019; 0015; 0026; 0028; 0029; 0031; 0032. . Retrieved 2019/01/08.