Ethyl 3-aminopyrazine-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-aminopyrazine-2-carboxylate
• CAS No.: 36526-32-6
• Molecular Formula: C₇H₉N₃O₂
• Molecular Weight: 167.167
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10498333
• Wikidata: Q82348327
• Mol file: 36526-32-6.mol

Synonyms:ethyl 3-aminopyrazine-2-carboxylate;36526-32-6;Pyrazinecarboxylic acid, 3-amino-, ethyl ester;ethyl3-aminopyrazine-2-carboxylate;SCHEMBL3979132;2-amino-3-ethoxycarbonylpyrazine;DTXSID10498333;MFCD07366530;AKOS009115067;AB30933;AM86910;AS-62099;CS-0451735;FT-0754993;3-Aminopyrazine-2-carboxylic acid ethyl ester;EN300-872668

Chemical Property of Ethyl 3-aminopyrazine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000595mmHg at 25°C
• Melting Point: 170 °C (sublm)(Press: 12 Torr)
• Boiling Point: 310.6oC at 760 mmHg
• PKA: -0.17±0.10(Predicted)
• Flash Point: 141.6oC
• PSA: 78.10000
• Density: 1.261g/cm3
• LogP: 0.81670
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

95+% ^*data from raw suppliers

Ethyl 3-aminopyrazine-2-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC=CN=C1N

Technology Process of Ethyl 3-aminopyrazine-2-carboxylate

There total 2 articles about Ethyl 3-aminopyrazine-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: 71.0%

2-Aminopyrazine (5049-61-6) + 2-oxo-propionic acid ethyl ester (617-35-6) → ethyl 3-amino[2,3-b]pyrazine-2-carboxylate (36526-32-6)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; 1) -10 deg C, 2) 30 min, 0 deg C, 3) 30 min, room temperature;

Reference yield:

→ ethyl 3-amino[2,3-b]pyrazine-2-carboxylate (36526-32-6)

Guidance literature:

Amidino-aminoester-dihydrochlorid (2g) u. Glyoxal*H2O;

Reference yield:

ethyl 3-amino[2,3-b]pyrazine-2-carboxylate (36526-32-6) → 2-(2-fluoro-phenyl)-pteridin-4-ol (936564-99-7)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine

2: ammonia / ethanol / Heating

3: NaOH

With pyridine; sodium hydroxide; ammonia; In ethanol;

DOI:10.1016/j.bmcl.2007.01.046

upstream raw materials:

2-Aminopyrazine

2-oxo-propionic acid ethyl ester

Downstream raw materials:

Imidazo[1,2-a]pyrazine-8-carboxylic acid ethyl ester

3-[bis-(3-chloro-benzoyl)-amino]-pyrazine-2-carboxylic acid ethyl ester

3-[bis-(3-trifluoromethyl-benzoyl)-amino]-pyrazine-2-carboxylic acid ethyl ester

3-[bis-(2-fluoro-benzoyl)-amino]-pyrazine-2-carboxylic acid ethyl ester