3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)-

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)-
• CAS No.: 164463-15-4
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.24100
• DSSTox Substance ID: DTXSID80462723
• Wikidata: Q82287301
• Mol file: 164463-15-4.mol

Synonyms:3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)-;164463-15-4;SCHEMBL2881107;DTXSID80462723;DMIBNQXJLORPPR-UHFFFAOYSA-N;2-(4-methoxyphenylcarbonyl)-3-pyridine carboxylic acid

Chemical Property of 3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)-

Chemical Property:

• PSA: 76.49000
• LogP: 2.01940
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O

Technology Process of 3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)-

There total 5 articles about 3-Pyridinecarboxylic acid, 2-(4-methoxybenzoyl)- 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: 33.0%

1-bromo-4-methoxy-benzene (104-92-7) + Pyridine-2,3-dicarboxylic anhydride (699-98-9) → 3-(4-methoxybenzoyl)-pyridine-2-carboxylic acid (116060-92-5) + 2-(4-methoxyphenylcarbonyl)-3-pyridine carboxylic acid (164463-15-4)

Guidance literature:

1-bromo-4-methoxy-benzene; With magnesium; In tetrahydrofuran;

Pyridine-2,3-dicarboxylic anhydride; In tetrahydrofuran; at -78 ℃; for 0.5h;

DOI:10.1016/S0968-0896(02)00122-0

Reference yield: 23.0%

1-bromo-4-methoxy-benzene (104-92-7) + Pyridine-2,3-dicarboxylic anhydride (699-98-9) → 2-(4-methoxyphenylcarbonyl)-3-pyridine carboxylic acid (164463-15-4)

Guidance literature:

1-bromo-4-methoxy-benzene; With magnesium;

With cadmium(II) chloride;

Pyridine-2,3-dicarboxylic anhydride; for 1h; Heating;

DOI:10.1080/00304940509354954

Reference yield:

Pyridine-2,3-dicarboxylic anhydride (699-98-9) + ammonium chloride + 4-methoxyphenyl magnesium bromide (13139-86-1) → 2-(4-methoxyphenylcarbonyl)-3-pyridine carboxylic acid (164463-15-4)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

1-bromo-4-methoxy-benzene

Pyridine-2,3-dicarboxylic anhydride

4-methoxyphenyl magnesium bromide

Downstream raw materials:

8-(4-methoxy-phenyl)-pyrido[2,3-d][1,2]oxazin-5-one

8-(4-methoxyphenyl)-6H-pyrido[2,3-d]pyridazin-5-one

5-(4-methoxyphenyl)-7H-pyrido[2,3-d]pyridazin-8-one

6-ethoxycarbonyl-5-hydroxy-7-(4-methoxyphenyl)-5-(3,4-methylenedioxyphenyl)-5H-cyclopenta[b]pyridine