3,5-Dichloro-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3,5-Dichloro-2-(trifluoromethyl)pyridine
• CAS No.: 7655-72-3
• Molecular Formula: C₆H₂Cl₂F₃N
• Molecular Weight: 215.99
• Hs Code.: 2933399090
• NSC Number: 68375
• DSSTox Substance ID: DTXSID00290383
• Wikidata: Q82028029
• Mol file: 7655-72-3.mol

Synonyms:3,5-dichloro-2-(trifluoromethyl)pyridine;7655-72-3;MFCD11226518;NSC68375;2-propylpyrimidine-4,6-diol;SCHEMBL17964135;DTXSID00290383;BBL104043;NSC 68375;NSC-68375;STL557857;AKOS005255731;FS-4880;CS-0455632;AU-004/43508170

Chemical Property of 3,5-Dichloro-2-(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 1.11mmHg at 25°C
• Boiling Point: 182.3°Cat760mmHg
• Flash Point: 64°C
• PSA: 12.89000
• Density: 1.542g/cm³
• LogP: 3.40720
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 214.9516389
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dichloro-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Dichloro-2-(trifluoromethyl)pyridine

There total 4 articles about 3,5-Dichloro-2-(trifluoromethyl)pyridine 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: 92.0%

3,5-dichloro-2-iodopyridine (1214350-54-5) + (trifluoromethyl)trimethylsilane (81290-20-2) → 3,5-dichloro-2-(trifluoromethyl)pyridine (7655-72-3)

Guidance literature:

(trifluoromethyl)trimethylsilane; With potassium fluoride; copper(l) iodide; In 1-methyl-pyrrolidin-2-one; at 50 ℃; for 0.75h;

3,5-dichloro-2-iodopyridine; In 1-methyl-pyrrolidin-2-one; at 50 ℃;

Reference yield:

3,5-dichloropyridine (2457-47-8) + Langlois reagent (2926-29-6) → 3,5-dichloro-2-(trifluoromethyl)pyridine (7655-72-3) + C6H2Cl2F3N

Guidance literature:

With oxygen; In water; acetonitrile; at 120 ℃; for 23h; under 760.051 Torr; Overall yield = 26 %Chromat.;

DOI:10.1039/c6nj03654f

Reference yield:

3,5-dichloro-2-bromopyridine (14482-51-0) → 3,5-dichloro-2-(trifluoromethyl)pyridine (7655-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium iodide; chloro-trimethyl-silane / acetonitrile / 0.75 h / Reflux

2.1: potassium fluoride; copper(l) iodide / 1-methyl-pyrrolidin-2-one / 0.75 h / 50 °C

2.2: 50 °C

With potassium fluoride; copper(l) iodide; chloro-trimethyl-silane; sodium iodide; In 1-methyl-pyrrolidin-2-one; acetonitrile;

upstream raw materials:

α-picoline

3,5-dichloro-2-iodopyridine

(trifluoromethyl)trimethylsilane

3,5-dichloro-2-bromopyridine