1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic Acid

Base Information

• Chemical Name: 1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic Acid
• CAS No.: 338755-21-8
• Molecular Formula: C13H9Cl2NO3
• Molecular Weight: 298.12
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID401145221
• Mol file: 338755-21-8.mol

Synonyms:1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic Acid;338755-21-8;1-[(3,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid;1-(3,4-Dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid;Oprea1_182738;SCHEMBL4484502;DTXSID401145221;MFCD00139865;AKOS005070630;5E-389S;CS-0323479;1-(3,4-Dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylicacid;1-[(3,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxylic acid;1-[(3,4-dichlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Chemical Property of 1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic Acid

Chemical Property:

• Melting Point: 253-256,5°C
• PSA: 59.30000
• LogP: 2.90160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.9959485
• Heavy Atom Count: 19
• Complexity: 447

Purity/Quality:

98%min ^*data from raw suppliers

1-(3,4-Dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CN2C=C(C=CC2=O)C(=O)O)Cl)Cl

Technology Process of 1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic Acid

There total 3 articles about 1-(3,4-Dichlorobenzyl)-6-Oxo-1,6-Dihydro-3-Pyridinecarboxylic 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:

methyl 1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylate (338755-15-0) → 1-[(3,4-dichlorophenyl)methyl]-6-oxo-pyridine-3-carboxylic acid (338755-21-8)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1016/j.bmcl.2019.01.035

Reference yield:

6-oxo-1,6-dihydropyridin-3-carboxylic acid methyl ester (66171-50-4) → 1-[(3,4-dichlorophenyl)methyl]-6-oxo-pyridine-3-carboxylic acid (338755-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: lithium hydroxide / methanol; water / 20 °C

With sodium hydride; lithium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2019.01.035

Reference yield:

5-nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester → 1-[(3,4-dichlorophenyl)methyl]-6-oxo-pyridine-3-carboxylic acid (338755-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: lithium hydroxide / methanol; water / 20 °C

With sodium hydride; lithium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2019.01.035

upstream raw materials:

methyl 1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylate

6-oxo-1,6-dihydropyridin-3-carboxylic acid methyl ester