2-Carbamoylisonicotinic acid

Base Information

• Chemical Name: 2-Carbamoylisonicotinic acid
• CAS No.: 160601-84-3
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• Hs Code.: 2933399990
• European Community (EC) Number: 847-406-1
• Mol file: 160601-84-3.mol

Synonyms:2-Carbamoylisonicotinic acid;160601-84-3;2-Carbamoylpyridine-4-carboxylic acid;MFCD16988758;2-(aminocarbonyl)-4-Pyridinecarboxylic acid;2-Carbamoylisonicotinicacid;4-Pyridinecarboxylic acid, 2-(aminocarbonyl)-;SCHEMBL7720509;CS1824;AKOS024464495;SB53440;BS-50127;DA-27934;CS-0199330;EN300-102071;A883195;Z1255448641

Chemical Property of 2-Carbamoylisonicotinic acid

Chemical Property:

• Boiling Point: 542.6±35.0 °C(Predicted)
• PKA: 3.09±0.10(Predicted)
• PSA: 93.28000
• Density: 1.458±0.06 g/cm3(Predicted)
• LogP: 0.57900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

95%, 99% ^*data from raw suppliers

2-Carbamoylisonicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1C(=O)O)C(=O)N

Technology Process of 2-Carbamoylisonicotinic acid

There total 8 articles about 2-Carbamoylisonicotinic 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: 89.5%

2-Cyano-4-carbomethoxypyridine (94413-64-6) → 2-carbamoylpyridine-4-carboxylic acid (160601-84-3)

Guidance literature:

2-Cyano-4-carbomethoxypyridine; With water; sodium hydroxide; In 1,4-dioxane; at 35 ℃; for 5h;

With hydrogenchloride; In 1,4-dioxane; water; pH=6.2; Concentration; Reagent/catalyst; Solvent; Temperature; pH-value;

Reference yield: 46.0%

methyl 2‐carbamoylpyridine‐4‐carboxylate → 2-carbamoylpyridine-4-carboxylic acid (160601-84-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 25 ℃; for 2h; chemoselective reaction;

DOI:10.1002/cmdc.201600276

Reference yield:

pyridine-2,4-dicarboxylic acid 2-methyl ester (24195-10-6) → 2-carbamoylpyridine-4-carboxylic acid (160601-84-3) + 4-carbamoylpyridine-2-carboxylic acid (24195-08-2)

Guidance literature:

With ammonium hydroxide; In water; at 20 ℃; Inert atmosphere;

upstream raw materials:

pyridine-2,4-dicarboxylic acid

pyridine-2,4-dicarboxylic acid 2-methyl ester

pyridine-2,4-dicarboxylic acid dimethyl ester

pyridine-2,4-bis(carbonyl)chloride

Downstream raw materials:

isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate

methanol

nitrous oxide

dinitrogen monoxide

Refernces

• 1、 -. "Method for preparing 2-acylamino isonicotinic acid from 2-methyl cyanoisonicotinate". Paragraph 0027-0098. . Retrieved 2020/05/01.
• 2、 -. "Process for the preparation of 2,4-pyridine dicarboxylic acid". . . Retrieved 2008/06/13.