Pyridine-2,4,6-tricarboxylic acid

Base Information

• Chemical Name: Pyridine-2,4,6-tricarboxylic acid
• CAS No.: 536-20-9
• Molecular Formula: C8H5 N O6
• Molecular Weight: 211.131
• Hs Code.: 2933399090
• NSC Number: 403251
• UNII: BD2YV5DB4G
• DSSTox Substance ID: DTXSID40323169
• Wikipedia: Collidinic_acid
• Wikidata: Q33221881
• ChEMBL ID: CHEMBL1321223
• Mol file: 536-20-9.mol

Synonyms:Py-2,4,6-TCA;pyridine-2,4,6-tricarboxylic acid

Chemical Property of Pyridine-2,4,6-tricarboxylic acid

Chemical Property:

• Vapor Pressure: 1.55E-22mmHg at 25°C
• Melting Point: 227 °C (decomp)
• Boiling Point: 732.7°Cat760mmHg
• PKA: 2.60±0.10(Predicted)
• Flash Point: 396.9°C
• PSA: 124.79000
• Density: 1.755g/cm³
• LogP: 0.17620
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 211.01168688
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyridine-2,4,6-tricarboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyridine-2,4,6-tricarboxylic acid

There total 12 articles about Pyridine-2,4,6-tricarboxylic 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: 80.0%

pyridine-2,4,6-tricarboxylic acid trimethyl ester (25309-39-1) → pyridine-2,4,6-tricarboxylic acid (536-20-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; pH=2;

DOI:10.1039/d1dt03514b

Reference yield: 76.3%

2,4,6-trimethyl-pyridine (108-75-8) → pyridine-2,4,6-tricarboxylic acid (536-20-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 0 - 75 ℃; for 27h;

DOI:10.1002/hlca.200490004

Reference yield:

2,6-dimethyl-4-ethylpyridine (36917-36-9) → pyridine-2,4,6-tricarboxylic acid (536-20-9)

Guidance literature:

With permanganate(VII) ion;

upstream raw materials:

2,4,6-trimethyl-pyridine

2,6-dimethyl-4-ethylpyridine

2,4-diethyl-6-methyl-pyridine

uvitonic acid

Downstream raw materials:

isonicotinamide

cadmium oxalate trihydrate

pyridine-4-carboxylic acid

pyridine-4-carbonitrile

Refernces

• 1、 Wang, Hong-Sheng,Li, Gong-Chun,Chen, Yao,Zhang, Zhen-Jie,Liu, Ming-Li. "Structures and luminescent properties of Sm(III) and Dy(III) coordination polymers with 2,4,6-pyridinetricarboxylic acid". . p. 4068 - 4076. Retrieved 2010.
• 2、 Wharmby, Michael T.,Snoyek, Malte,Rhauderwiek, Timo,Ritter, Knut,Stock, Norbert. "Group 13 metal carboxylates: Using molecular clusters as hybrid building units in a MIL-53 type framework". . p. 5310 - 5317. Retrieved 2014.
• 3、 Zhao, Xiaojuan,Ye, Yun,Yue, Xiu,Ye, Xiuya,Wang, Qiaoyun,Li, Ruimin. "A fluorescent chemosensor for Hg(II) optical recognition: Mesoporous MCM-41 functionalized with a covalently linked Eu(III) complex". . . Retrieved 2021/11/16.
• 4、 Fedorova, Olga A.,Shchukina, Anna A.,Zubenko, Anastasia D.. "Synthetic Approaches to the Bifunctional Chelators for Radio nuclides Based on Pyridine-Containing Azacrown Compounds". . p. 1087 - 1095. Retrieved 2020/04/01.