3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester

Base Information

Chemical Name:3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester
CAS No.:104941-01-7
Molecular Formula:C₁₆H₁₂ClNO₄
Molecular Weight:317.729
Hs Code.:
DSSTox Substance ID:DTXSID80146859
Wikidata:Q83011756
ChEMBL ID:CHEMBL35688
Mol file:104941-01-7.mol

Synonyms:104941-01-7;3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester;3-Pyridinecarboxylic acid, 1-[1-(4-chlorobenzoyl)ethenyl]-1,6-dihydro-6-oxo-, methyl ester;CHEMBL35688;DTXSID80146859;methyl 1-[1-(4-chlorobenzoyl)vinyl]-6-oxo-pyridine-3-carboxylate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester

Chemical Property:

Vapor Pressure:4.74E-10mmHg at 25°C
Boiling Point:497.9°Cat760mmHg
Flash Point:254.9°C
Density:1.362g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:317.0454856
Heavy Atom Count:22
Complexity:571

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester

There total 3 articles about 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester 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:

: 66171-50-4
6-oxo-1,6-dihydropyridin-3-carboxylic acid methyl ester

: 104941-01-7
1-[1-(4-Chloro-benzoyl)-vinyl]-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: acetic anhydride / 0.25 h / 40 °C

With acetic anhydride; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00391a037

Reference yield:

: 536-38-9
4-chlorobenzoylmethyl bromide

: 104941-01-7
1-[1-(4-Chloro-benzoyl)-vinyl]-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: acetic anhydride / 0.25 h / 40 °C

With acetic anhydride; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00391a037