3-Phenyl-2-pyrazinecarboxylic acid

Base Information

• Chemical Name: 3-Phenyl-2-pyrazinecarboxylic acid
• CAS No.: 2881-85-8
• Molecular Formula: C11H8 N2 O2
• Molecular Weight: 200.19
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10363754
• Wikidata: Q82147495
• Mol file: 2881-85-8.mol

Synonyms:3-Phenyl-2-pyrazinecarboxylic acid;2881-85-8;3-phenylpyrazine-2-carboxylic Acid;3-PHENYL-2-PYRAZINECARBOXYLICACID;2-Pyrazinecarboxylic acid, 3-phenyl-;carboxyphenyl pyrazine;SCHEMBL1340669;DTXSID10363754;AMY29053;3-Phenyl-pyrazine-2-carboxylic acid;MFCD02181157;AKOS015892907;CS-10781;FT-0654990;EN300-239895;F2167-2364

Chemical Property of 3-Phenyl-2-pyrazinecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.09E-06mmHg at 25°C
• Melting Point: 141-142℃
• Refractive Index: 1.619
• Boiling Point: 364.1°Cat760mmHg
• PKA: 2.61±0.10(Predicted)
• Flash Point: 174°C
• PSA: 63.08000
• Density: 1.302g/cm³
• LogP: 1.84180
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.058577502
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=CN=C2C(=O)O

Technology Process of 3-Phenyl-2-pyrazinecarboxylic acid

There total 3 articles about 3-Phenyl-2-pyrazinecarboxylic 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:

ethyl 3-phenylpyrazine-2-carboxylate → 3-phenylpyrazine-2-carboxylic acid (2881-85-8)

Guidance literature:

With water; sodium hydroxide; In methanol; at 50 ℃;

DOI:10.1016/j.tet.2017.12.016

Reference yield:

ethyl 3-oxo-3-phenylpropionate (94-02-0) → 3-phenylpyrazine-2-carboxylic acid (2881-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: [bis(acetoxy)iodo]benzene; Iron(III) nitrate nonahydrate / ethyl acetate / 5 h / 20 °C

2: sodium hydroxide; water / methanol / 50 °C

With Iron(III) nitrate nonahydrate; [bis(acetoxy)iodo]benzene; water; sodium hydroxide; In methanol; ethyl acetate;

DOI:10.1016/j.tet.2017.12.016

Reference yield:

→ 3-phenylpyrazine-2-carboxylic acid (2881-85-8)

Guidance literature:

Nitril;

upstream raw materials:

ethyl 3-oxo-3-phenylpropionate

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