2,4,6-Trichloropyridine

Base Information

• Chemical Name: 2,4,6-Trichloropyridine
• CAS No.: 16063-69-7
• Molecular Formula: C5H2Cl3N
• Molecular Weight: 182.437
• Hs Code.: 29333990
• European Community (EC) Number: 628-736-3
• DSSTox Substance ID: DTXSID80166951
• Nikkaji Number: J51.348B
• Wikidata: Q72510393
• Mol file: 16063-69-7.mol

Synonyms:BRN 0114335;5-20-05-00420 (Beilstein Handbook Reference);

Chemical Property of 2,4,6-Trichloropyridine

Chemical Property:

• Appearance/Colour: White to off-white crystals or crystalline solid
• Vapor Pressure: 0.251mmHg at 25°C
• Melting Point: 33-37 °C(lit.)
• Refractive Index: 1.572
• Boiling Point: 212.5 °C at 760 mmHg
• PKA: -2.93±0.10(Predicted)
• Flash Point: 118.2 °C
• PSA: 12.89000
• Density: 1.539 g/cm³
• LogP: 3.04180
• Storage Temp.: 2-8°C
• Water Solubility.: Sparingly soluble in water. (0.113 mm Hg at 25°C)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 180.925282
• Heavy Atom Count: 9
• Complexity: 88.2

Purity/Quality:

96.0%Min ^*data from raw suppliers

2,4,6-Trichloropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(N=C1Cl)Cl)Cl
• Uses: It is used as pharmaceutical intermediates.

Technology Process of 2,4,6-Trichloropyridine

There total 6 articles about 2,4,6-Trichloropyridine 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: 94.0%

2,6-dichloro-4-iodopyridine (98027-84-0) → 2,4,6-trichloropyridine (16063-69-7)

Guidance literature:

2,6-dichloro-4-iodopyridine; With 2-methylpropylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 0.75h;

With N-chloro-succinimide; In tetrahydrofuran; for 0.75h;

DOI:10.1021/jo047962z

Reference yield: 85.0%

2,6-dichloropyridine N-oxide (2587-00-0) → 2,4,6-trichloropyridine (16063-69-7)

Guidance literature:

With trichlorophosphate; for 4h; Reflux;

DOI:10.1016/j.ejmech.2015.11.039

Reference yield:

2,6-dichloro-[4]pyridylamine (2587-02-2) → 2,4,6-trichloropyridine (16063-69-7)

Guidance literature:

With hydrogenchloride; Durchleiten von Chlorwasserstoff und Behandeln der Reaktionsloesung mit Natriumnitrit;

upstream raw materials:

2,6-dichloro-[4]pyridylamine

2-amino-4,6-dichloropyridine

2,6-dichloropyridine N-oxide

2,6-dichloro-4-iodopyridine

Downstream raw materials:

2,4,6-trimethoxypyridine

2,6-dichloro-[4]pyridylamine

2-amino-4,6-dichloropyridine

2,4,6-trichloronicotinoic acid

Refernces

• 1、 Madaiah, Malavalli,Prashanth, Maralekere K.,Revanasiddappa, Hosakere D.,Veeresh, Bantal. "Synthesis and evaluation of novel imidazo[4,5-: C] pyridine derivatives as antimycobacterial agents against Mycobacterium tuberculosis". . p. 9194 - 9204. Retrieved 2016.
• 2、 Yang, Jiapei,Chen, Wenmin,Kang, Dongwei,Lu, Xueyi,Li, Xiao,Liu, Zhaoqiang,Huang, Boshi,Daelemans, Dirk,Pannecouque, Christophe,De Clercq, Erik,Zhan, Peng,Liu, Xinyong. "Design, synthesis and anti-HIV evaluation of novel diarylpyridine derivatives targeting the entrance channel of NNRTI binding pocket". . p. 294 - 304. Retrieved 2016/01/28.