3-chloropyrazine-2-carboxylic Acid

Base Information

• Chemical Name: 3-chloropyrazine-2-carboxylic Acid
• CAS No.: 27398-39-6
• Molecular Formula: C5H3ClN2O2
• Molecular Weight: 158.544
• Hs Code.: 2933990090
• European Community (EC) Number: 676-250-5
• DSSTox Substance ID: DTXSID10363557
• Nikkaji Number: J418.966C
• Wikidata: Q72458180
• Mol file: 27398-39-6.mol

Synonyms:3-chloropyrazine-2-carboxylic Acid;27398-39-6;3-Chloro-2-pyrazine-carboxylic acid;3-chloro-2-pyrazinecarboxylic acid;3-chloro-pyrazine-2-carboxylic acid;Pyrazinecarboxylic acid, 3-chloro-;MFCD01318438;2-Chloropyrazine-3-carboxylic acid;SCHEMBL569230;3-chloropyrazine-2-carboxylicacid;DTXSID10363557;BCP26944;AKOS002666583;AC-9252;CS-W004253;PB23222;BP-11738;SY013464;TS-02110;A5320;AM20070337;FT-0638700;EN300-118597;Q-102265;Z1201620959

Chemical Property of 3-chloropyrazine-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 116-117 °C (decomp)
• Refractive Index: 1.598
• Boiling Point: 317 °C at 760 mmHg
• PKA: 1.51±0.25(Predicted)
• Flash Point: 145.5 °C
• PSA: 63.08000
• Density: 1.579 g/cm³
• LogP: 0.82820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.9883050
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

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

3-Chloro-2-pyrazinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=N1)C(=O)O)Cl
• Uses: 3-Chloro-2-pyrazinecarboxylic Acid is used in the synthesis of a novel inhibitor (CX-4945) of protein kinase CK2 in the treatment of cancer. Also used in the synthesis of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase.

Technology Process of 3-chloropyrazine-2-carboxylic Acid

There total 7 articles about 3-chloropyrazine-2-carboxylic Acid 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:

2-chloro-3-cyanopyrazine (55557-52-3) → 3-chloropyrazine-2-carboxylic acid (27398-39-6)

Guidance literature:

With water; sodium hydroxide; Reflux;

DOI:10.3390/molecules20058687

Reference yield:

3-chloropyrazine-2-carboxylic acid ethyl ester → 3-chloropyrazine-2-carboxylic acid (27398-39-6)

Guidance literature:

With water; sodium carbonate; In methanol;

DOI:10.1002/mrc.2437

Reference yield:

3-chloropyrazine-2-carboxylic acid methyl ester (27825-21-4) → 3-chloropyrazine-2-carboxylic acid (27398-39-6)

Guidance literature:

With water; sodium carbonate; In methanol;

DOI:10.1002/mrc.2437

upstream raw materials:

2-chloropyrazin

carbon dioxide

3-hydroxypyrazine-2-carboxylic acid

3-oxo-3,4-dihydropyrazine-2-carboxylic acid

Downstream raw materials:

{2-[(3-chloro-pyrazine-2-carbonyl)-amino]-2-imino-ethyl}-carbamic acid benzyl ester

3-chloro-pyrazine-2-carboxylic acid{2-[2-(2,5-difluoro-phenyl)-ethoxy]-1-imino-ethyl}-amide

Refernces

• 1、 Semelkova, Lucia,Konecna, Klara,Paterova, Pavla,Kubicek, Vladimir,Kunes, Jiri,Novakova, Lucie,Marek, Jan,Naesens, Lieve,Pesko, Matus,Kralova, Katarina,Dolezal, Martin,Zitko, Jan. "Synthesis and biological evaluation of N-alkyl-3-(alkylamino)-pyrazine-2-carboxamides". . p. 8687 - 8711. Retrieved 2015.
• 2、 Turck, A.,Mojovic, L.,Queguiner, G.. "A New Route to 2,3-Disubstituted Pyrazines; Regioselective Metalation of Chloropyrazine". . p. 881 - 884. Retrieved 2007/10/02.