3,5,6-Trichloropicolinic acid

Base Information

• Chemical Name: 3,5,6-Trichloropicolinic acid
• CAS No.: 40360-44-9
• Molecular Formula: C6H2Cl3NO2
• Molecular Weight: 226.44
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60358852
• Nikkaji Number: J1.662.531K
• Wikidata: Q82139735
• Mol file: 40360-44-9.mol

Synonyms:3,5,6-Trichloropicolinic acid;40360-44-9;3,5,6-trichloropyridine-2-carboxylic Acid;3,5,6-Trichloropicolinicacid;3,5,6-Trichloro-2-picolinic Acid;MFCD01086756;3,5,6-TRICHLORO-PYRIDINE-2-CARBOXYLIC ACID;2-Pyridinecarboxylic acid, 3,5,6-trichloro-;SCHEMBL827009;DTXSID60358852;TVMKSGXYTVKNRK-UHFFFAOYSA-N;STK530564;AKOS015920174;CS-W021804;DS-1344;FT-0675452;A26079;J-511233

Chemical Property of 3,5,6-Trichloropicolinic acid

Chemical Property:

• Vapor Pressure: 2.87E-05mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 342.6 °C at 760 mmHg
• Flash Point: 161 °C
• PSA: 50.19000
• Density: 1.728 g/cm³
• LogP: 2.74000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.915111
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

3,5,6-Trichloro-2-picolinicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl

Technology Process of 3,5,6-Trichloropicolinic acid

There total 11 articles about 3,5,6-Trichloropicolinic 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: 98.0%

ethyl 2-cyano-2-(3,5,6-trichloropyridin-2-yl)acetate → 3,5,6-trichloropicolinic acid (40360-44-9)

Guidance literature:

With dihydrogen peroxide; sodium acetate; In water; at 60 ℃; for 1h;

Reference yield: 76.14%

3,4,5,6-tetrachloropyridinecarboxylic acid (10469-09-7) → 4,5,6-trichloropicolinic acid (496849-77-5) + 3,5,6-trichloropicolinic acid (40360-44-9)

Guidance literature:

With [2,2]bipyridinyl; nickel(II) chloride hexahydrate; zinc; In methanol; N,N-dimethyl-formamide; at 14 ℃; for 4.78333h; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield: 76.0%

carbon dioxide (124-38-9,18923-20-1) + 2,3,5-trichloro-6-iodopyridine (78121-76-3) → 3,5,6-trichloropicolinic acid (40360-44-9)

Guidance literature:

2,3,5-trichloro-6-iodopyridine; With isopropylmagnesium chloride; In tetrahydrofuran; at -75 ℃; for 0.75h;

carbon dioxide; at -75 ℃; Further stages.;

DOI:10.1002/1099-0690(200112)2001:23<4533::AID-EJOC4533>3.0.CO;2-1

upstream raw materials:

carbon dioxide

2,3,5-trichloro-6-iodopyridine

2,3,5-trichloropyridine

2,3,5-trichloro-4-iodopyridine

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF 4,5,6-TRICHLOROPICOLINIC ACID". Page/Page column 8; 9. . Retrieved 2016/05/24.
• 2、 Bobbio, Carla,Schlosser, Manfred. "Regiochemical flexibility: The optional functionalization of 2,3,5-trihalopyridines at the 4- or 6-position". . p. 4533 - 4536. Retrieved 2007/10/03.