6-(Benzylsulfanyl)pyrazine-2-carboxylic acid

Base Information

• Chemical Name: 6-(Benzylsulfanyl)pyrazine-2-carboxylic acid
• CAS No.: 66533-95-7
• Molecular Formula: C₁₂H₁₀N₂O₂S
• Molecular Weight: 246.29
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00400223
• Wikidata: Q82203087

Synonyms:66533-95-7;6-(benzylsulfanyl)pyrazine-2-carboxylic acid;6-benzylsulfanylpyrazine-2-carboxylic acid;AF-615/25002800;MLS001178418;SCHEMBL6894869;DTXSID00400223;HMS2795H09;AKOS015155205;6-(Benzylthio)pyrazine-2-carboxylic acid;SMR000476088;FT-0620886;6-[(phenylmethyl)thio]pyrazinecarboxylic acid;6-(benzylsulfanyl)-2-pyrazinecarboxylic acid, AldrichCPR

Chemical Property of 6-(Benzylsulfanyl)pyrazine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.51E-09mmHg at 25°C
• Melting Point: 188-190 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 461.9±45.0 °C(Predicted)
• PKA: 2.68±0.10(Predicted)
• PSA: 88.38000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 2.46710
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 246.04629874
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)O

Technology Process of 6-(Benzylsulfanyl)pyrazine-2-carboxylic acid

There total 1 articles about 6-(Benzylsulfanyl)pyrazine-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:

→ 6-benzylsulfanyl-pyrazine-2-carboxylic acid (66533-95-7)

Guidance literature:

aus 2-Cyan-6-benzylthio-pyrazin (34), NaOH;

Reference yield:

5-bromo-3-hydroxyindazole (7364-27-4) + 6-benzylsulfanyl-pyrazine-2-carboxylic acid (66533-95-7) → C19H13BrN4O2S (1096711-89-5)

Guidance literature:

6-benzylsulfanyl-pyrazine-2-carboxylic acid; With 1,1'-carbonyldiimidazole; In dichloromethane;

5-bromo-3-hydroxyindazole; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2007.08.041

Reference yield:

C8H5N3O (1096711-65-7) + 6-benzylsulfanyl-pyrazine-2-carboxylic acid (66533-95-7) → C20H13N5O2S

Guidance literature:

6-benzylsulfanyl-pyrazine-2-carboxylic acid; With 1,1'-carbonyldiimidazole; In dichloromethane;

C₈H₅N₃O; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2007.08.041

Downstream raw materials:

C₁₉H₁₃BrN₄O₂S

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