2,6-DI(4-Carboxyphenyl)pyrazine

Base Information

• Chemical Name: 2,6-DI(4-Carboxyphenyl)pyrazine
• CAS No.: 623157-25-5
• Molecular Formula: C18H12N2O4
• Molecular Weight: 320.3
• DSSTox Substance ID: DTXSID70476238
• Nikkaji Number: J3.402.252F
• Wikidata: Q82307285
• Mol file: 623157-25-5.mol

Synonyms:623157-25-5;2,6-DI(4-CARBOXYPHENYL)PYRAZINE;4-[6-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid;4,4'-(Pyrazine-2,6-diyl)dibenzoic acid;Benzoic acid, 4,4'-(2,6-pyrazinediyl)bis-;YSZC098;DTXSID70476238;2,6-bis(4'carboxyphenyl)pyrazine;4,4'-(Pyrazine-2,6-diyl)dibenzoicacid;4,4'-(2,6-pyrazinediyl)bis-benzoic acid;CS-0170061

Chemical Property of 2,6-DI(4-Carboxyphenyl)pyrazine

Chemical Property:

• PSA: 100.38000
• LogP: 3.20700
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 320.07970687
• Heavy Atom Count: 24
• Complexity: 414

Purity/Quality:

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

4,4'-(Pyrazine-2,6-diyl)dibenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CC(=N2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Technology Process of 2,6-DI(4-Carboxyphenyl)pyrazine

There total 1 articles about 2,6-DI(4-Carboxyphenyl)pyrazine 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: 54.0%

2,6-dichloropyrazine (4774-14-5) + 4-carboxyphenylboronic acid (14047-29-1) → 2,6-bis(4'-carboxyphenyl)pyrazine (623157-25-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In water; acetonitrile; at 60 ℃; for 48h;

DOI:10.3987/com-03-9789

Reference yield:

magnesium(II) nitrate hexahydrate + N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2,6-bis(4'-carboxyphenyl)pyrazine (623157-25-5) → Mg(4,4'-(pyrazine-2,6-diyl) dibenzoate)(DMF)

Guidance literature:

In water; at 140 ℃; for 72h; Autoclave;

DOI:10.1039/c4dt02752c

upstream raw materials:

2,6-dichloropyrazine

4-carboxyphenylboronic acid

Refernces

• 1、 Schultheiss, Nate,Bosch, Eric. "Facile synthesis of diarylpyrazines using suzuki coupling of dichloropyrazines with aryl boronic acids". . p. 1891 - 1897. Retrieved 2007/10/03.