5-Formylnicotinic acid

Base Information

• Chemical Name: 5-Formylnicotinic acid
• CAS No.: 893723-55-2
• Molecular Formula: C₇H₅NO₃
• Molecular Weight: 151.122
• DSSTox Substance ID: DTXSID60406281
• Wikidata: Q82211187
• Mol file: 893723-55-2.mol

Synonyms:5-FORMYLNICOTINIC ACID;893723-55-2;5-formylpyridine-3-carboxylic Acid;5-FORMYLNICOTINICACID;SCHEMBL2410981;DTXSID60406281;AKOS002664379;SB53205;BS-23912;CS-0132499;E76996;EN300-120579

Chemical Property of 5-Formylnicotinic acid

Chemical Property:

• PSA: 67.26000
• LogP: 0.59230
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 151.026943022
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

98% ^*data from raw suppliers

5-Formylnicotinicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1C(=O)O)C=O

Technology Process of 5-Formylnicotinic acid

There total 2 articles about 5-Formylnicotinic 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: 72.6%

methyl 5-formylpyridine-3-carboxylate (6221-06-3) → 5-formylpyridine-3-carboxylic acid (893723-55-2)

Guidance literature:

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

Reference yield:

5-bromo-3-pyridine carboxylic acid methyl ester (29681-44-5) → 5-formylpyridine-3-carboxylic acid (893723-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; palladium diacetate; triethylsilane; CyJohnPhos / N,N-dimethyl-formamide / 65 °C / Inert atmosphere

2: lithium hydroxide; water / tetrahydrofuran / 20 °C

With triethylsilane; water; palladium diacetate; sodium carbonate; lithium hydroxide; CyJohnPhos; In tetrahydrofuran; N,N-dimethyl-formamide;

upstream raw materials:

methyl 5-formylpyridine-3-carboxylate

5-bromo-3-pyridine carboxylic acid methyl ester

Refernces