(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one

Base Information

• Chemical Name: (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one
• CAS No.: 3939-04-6
• Molecular Formula: C15H12N2O
• Molecular Weight: 236.2686
• NSC Number: 149286
• DSSTox Substance ID: DTXSID70419307
• Wikidata: Q82230270
• ChEMBL ID: CHEMBL1971185

Synonyms:MLS000766145;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;3939-04-6;(1E,4E)-1,5-di(pyridin-3-yl)penta-1,4-dien-3-one;SMR000528628;NSC149286;1,4-Pentadien-3-one, 1,5-di-3-pyridyl-;1, 1,5-di-3-pyridyl-;SCHEMBL5598850;CHEMBL1971185;DTXSID70419307;UWILVEPRHIRCJK-KQQUZDAGSA-N;BDBM191744;HMS2868M19;STK024992;AKOS003827368;NSC-149286;US9187397, 3;US9187397, 31;(1E,4E)-1,5-bis(3-pyridyl)penta-1,4-dien-3-one

Chemical Property of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one

Chemical Property:

• Vapor Pressure: 1.03E-07mmHg at 25°C
• Boiling Point: 433.3°C at 760 mmHg
• Flash Point: 216.7°C
• Density: 1.185g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C=CC(=O)C=CC2=CN=CC=C2
• Isomeric SMILES: C1=CC(=CN=C1)/C=C/C(=O)/C=C/C2=CN=CC=C2

Technology Process of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one

There total 4 articles about (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one 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: 58.0%

3-pyridinecarboxaldehyde (500-22-1) + acetone (67-64-1) → 1,5-bis(3-pyridyl)-1,4-pentadiene-3-one (26159-26-2,3939-04-6)

Guidance literature:

With potassium carbonate; In ethanol; water; toluene; at 70 ℃; for 12h;

DOI:10.1039/c1ob06773g

Reference yield: 58.0%

3-pyridinecarboxaldehyde (500-22-1) + [3-(diethoxy-phosphoryl)-2-oxo-propyl]-phosphonic acid diethyl ester (1475-91-8) → 1,5-bis(3-pyridyl)-1,4-pentadiene-3-one (26159-26-2,3939-04-6)

Guidance literature:

With potassium carbonate; In ethanol; water; at 20 ℃;

DOI:10.1021/acs.jmedchem.5b00470

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + acetonedicarboxylic acid (542-05-2) → 1,5-bis(3-pyridyl)-1,4-pentadiene-3-one (26159-26-2,3939-04-6)

Guidance literature:

in wss. Loesung vom pH 5;

DOI:10.1007/BF00898717

upstream raw materials:

3-pyridinecarboxaldehyde

acetonedicarboxylic acid

acetone

[3-(diethoxy-phosphoryl)-2-oxo-propyl]-phosphonic acid diethyl ester

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