Ethanedione, di-3-pyridinyl-

Base Information

• Chemical Name: Ethanedione, di-3-pyridinyl-
• CAS No.: 35779-39-6
• Molecular Formula: C12H8N2O2
• Molecular Weight: 212.208
• European Community (EC) Number: 694-666-5
• NSC Number: 91516
• DSSTox Substance ID: DTXSID80293690
• Nikkaji Number: J1.397.334B
• Wikidata: Q82032589
• ChEMBL ID: CHEMBL1420977
• Mol file: 35779-39-6.mol

Synonyms:Ethanedione, di-3-pyridinyl-;35779-39-6;3,3'-Pyridil;MLS000736923;1,2-di(pyridin-3-yl)ethane-1,2-dione;1,2-dipyridin-3-ylethane-1,2-dione;NSC91516;SCHEMBL2784997;CHEMBL1420977;DTXSID80293690;WKQMLIVNOYGANQ-UHFFFAOYSA-N;HMS2782O20;NSC-91516;1,2-Di(3-pyridinyl)-1,2-ethanedione;SMR000444208;1,2-Di(3-pyridinyl)-1,2-ethanedione #

Chemical Property of Ethanedione, di-3-pyridinyl-

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 400°Cat760mmHg
• Flash Point: 198.2°C
• Density: 1.271g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethanedione, di-3-pyridinyl-

There total 2 articles about Ethanedione, di-3-pyridinyl- 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: 86.0%

3-pyridinecarboxaldehyde (500-22-1) → nicotinic acid (59-67-6) + 1,2-di(pyridine-3-yl)ethane-1,2-dione (35779-39-6)

Guidance literature:

With 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; In aq. buffer; at 20 ℃; for 8h; pH=11.5; Electrolysis;

DOI:10.1021/acscatal.8b01640

Reference yield: 58.0%

3-pyridinecarboxaldehyde (500-22-1) + ethanol (64-17-5) → 3-pyridinecarboxylic acid ethyl ester (614-18-6) + 1,2-di(pyridine-3-yl)ethane-1,2-dione (35779-39-6)

Guidance literature:

With oxygen; Thiamine hydrochloride; triethylamine; for 2h; Reflux;

DOI:10.1246/cl.2009.484

Reference yield:

1,2-di(pyridine-3-yl)ethane-1,2-dione (35779-39-6) → (PPh4)2[NiII(C8H2N2S2(pyridin-3-yl)2)2]

Guidance literature:

Multi-step reaction with 3 steps

1.1: iodine / acetonitrile / 2 h / 20 °C

2.1: mercury(II) diacetate; acetic acid / chloroform / 12 h / 20 °C / Inert atmosphere

3.1: sodium / methanol / 0.17 h

3.2: 0.25 h

With mercury(II) diacetate; iodine; sodium; acetic acid; In methanol; chloroform; acetonitrile;

DOI:10.1016/j.poly.2012.11.046

upstream raw materials:

3-pyridinecarboxaldehyde

ethanol

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