Ethyl pyrazine-2-carboxylate

Base Information

• Chemical Name: Ethyl pyrazine-2-carboxylate
• CAS No.: 6924-68-1
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2933990090
• European Community (EC) Number: 230-045-3
• UNII: Q7Y9QBJ83Z
• DSSTox Substance ID: DTXSID50219302
• Nikkaji Number: J265.962J
• Wikidata: Q72477005
• Mol file: 6924-68-1.mol

Synonyms:ethyl pyrazine-2-carboxylate;6924-68-1;Ethyl pyrazinecarboxylate;Pyrazinoic Acid Ethyl Ester;Pyrazinecarboxylic acid, ethyl ester;Ethyl 2-pyrazinecarboxylate;Q7Y9QBJ83Z;EINECS 230-045-3;MFCD00792887;3-carbethoxypyrazine;ethyl pyrazine carboxylate;ethylpyrazine-2-carboxylate;UNII-Q7Y9QBJ83Z;ethyl pyrazine-2 carboxylate;SCHEMBL2558377;DTXSID50219302;CS-M0893;STK502763;AKOS002659296;2-Pyrazinecarboxylic acid, ethyl ester;AS-8545;CCG-321341;Pyrazine 2-carboxylic acid, ethyl ester;AC-28144;AM804236;SY012364;BB 0241918;FT-0657154;EN300-86363;Z53835886

Chemical Property of Ethyl pyrazine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0464mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.508
• Boiling Point: 236.8 °C at 760 mmHg
• PKA: -0.79±0.10(Predicted)
• Flash Point: 97 °C
• PSA: 52.08000
• Density: 1.167 g/cm³
• LogP: 0.65330
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

PyrazinoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC=CN=C1
• Uses: Pyrazinoic Acid Ethyl Ester (cas# 6924-68-1) is a compound useful in organic synthesis.

Technology Process of Ethyl pyrazine-2-carboxylate

There total 9 articles about Ethyl pyrazine-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: 93.0%

2-pyrazylcarboxylic acid (98-97-5) + Triethyl orthoacetate (78-39-7) → ethyl 2-pyrazinecarboxylate (6924-68-1)

Guidance literature:

In various solvent(s); at 80 ℃; for 3h;

DOI:10.1016/j.tet.2005.09.147

Reference yield: 88.62%

→ ethyl 2-pyrazinecarboxylate (6924-68-1)

Guidance literature:

With sulfuric acid; at 115 ℃; for 4h; Cooling with ice;

Reference yield: 86.0%

1,4-pyrazine (290-37-9) + oxalic acid monoethyl ester (617-37-8) → ethyl 2-pyrazinecarboxylate (6924-68-1)

Guidance literature:

With sodium persulfate; sulfuric acid; silver nitrate; In dichloromethane; water; for 1.5h; Heating;

DOI:10.1016/S0040-4039(00)79599-2

upstream raw materials:

1,4-pyrazine

2-oxo-propionic acid ethyl ester

oxalic acid monoethyl ester

2-pyrazylcarboxylic acid

Downstream raw materials:

methyl 2-methyl-3-(pyrazin-2-yl)-3-oxopropionate

pyrazine-2-carbohydrazide

3-phenyl-1-pyrazinyl-propane-1,3-dione

N-phenyl-2-(pyrazine-2-carbonyl)hydrazinecarbothioamide

Refernces

• 1、 Browne, Wesley R.,O'Connor, Christine M.,Hughes, Helen P.,Hage, Ronald,Walter, Olaf,Doering, Manfred,Gallagher, John F.,Vos, Johannes G.. "Ruthenium(II) and osmium(II) polypyridyl complexes of an asymmetric pyrazinyl- and pyridinyl-containing 1,2,4-triazole based ligand. Connectivity and physical properties of mononuclear complexes". . p. 4048 - 4054. Retrieved 2002.
• 2、 Liu, Jie,Zhang, Guang-Yu,Zhang, Zhe,Li, Bo,Chai, Fei,Wang, Qi,Zhou, Zi-Dan,Xu, Ling-Ling,Wang, Shou-Kai,Jin, Zhen,Tang, You-Zhi. "Design, synthesis, in vitro and in vivo evaluation against MRSA and molecular docking studies of novel pleuromutilin derivatives bearing 1, 3, 4-oxadiazole linker". . . Retrieved 2021/05/17.
• 3、 Abdel-Aziz, Mohamed,Gouda, Ahmed M.,Marzouk, Adel A.,Radwan, Mohamed M.,Shaykoon, Montaser Sh.,Soltan, Osama M.,Wanas, Amira S.,Youssif, Bahaa G. M.. "Design, synthesis and antitrypanosomal activity of heteroaryl-based 1,2,4-triazole and 1,3,4-oxadiazole derivatives". . . Retrieved 2020/05/22.