3-(Chloromethyl)-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3-(Chloromethyl)-2-(trifluoromethyl)pyridine
• CAS No.: 1060814-58-5
• Molecular Formula: C7H5ClF3N
• Molecular Weight: 195.5695096
• Hs Code.: 2933399990
• European Community (EC) Number: 864-168-4
• DSSTox Substance ID: DTXSID10697248
• Wikidata: Q82627057
• Mol file: 1060814-58-5.mol

Synonyms:3-(CHLOROMETHYL)-2-(TRIFLUOROMETHYL)PYRIDINE;1060814-58-5;3-chloromethyl-2-(trifluoromethyl)pyridine;MFCD10698575;SCHEMBL738750;DTXSID10697248;AMY12086;AKOS006303428;AB62439;AC-28913;AS-50097;SY316479;EN300-305377;O10880

Chemical Property of 3-(Chloromethyl)-2-(trifluoromethyl)pyridine

Chemical Property:

• Boiling Point: 192.1±35.0 °C(Predicted)
• PKA: -0.22±0.22(Predicted)
• PSA: 12.89000
• Density: 1.359±0.06 g/cm3(Predicted)
• LogP: 2.83920
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.0062613
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

3-(Chloromethyl)-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)C(F)(F)F)CCl

Technology Process of 3-(Chloromethyl)-2-(trifluoromethyl)pyridine

There total 5 articles about 3-(Chloromethyl)-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:

(2-(trifluoromethyl)pyridin-3-yl)methanol (131747-57-4) → 3-(chloromethyl)-2-(trifluoromethyl)pyridine (1060814-58-5)

Guidance literature:

With thionyl chloride; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1021/jm9800797

Reference yield:

3-trifluoroacetyl-2-trifluoromethylpyridine (208517-34-4) → 3-(chloromethyl)-2-(trifluoromethyl)pyridine (1060814-58-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH, H₂O / 1.) DMF, 60 deg C, 45 min, 2.) DMF, 60 deg C, 1 h

2: DIBAL / tetrahydrofuran / 18 h / Ambient temperature

3: thionyl chloride / CH₂Cl₂ / 4 h / Ambient temperature

With thionyl chloride; water; sodium hydride; diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm9800797

Reference yield:

ethyl 2-(trifluoromethyl)pyridine-3-carboxylate (208517-35-5) → 3-(chloromethyl)-2-(trifluoromethyl)pyridine (1060814-58-5)

Guidance literature:

Multi-step reaction with 2 steps

1: DIBAL / tetrahydrofuran / 18 h / Ambient temperature

2: thionyl chloride / CH₂Cl₂ / 4 h / Ambient temperature

With thionyl chloride; diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm9800797

upstream raw materials:

(2-(trifluoromethyl)pyridin-3-yl)methanol

3-trifluoroacetyl-2-trifluoromethylpyridine

ethyl 2-(trifluoromethyl)pyridine-3-carboxylate

2-(trifluoromethyl)nicotinic acid

Downstream raw materials:

O-ethyl S-((2-(trifluoromethyl)pyridin-3-yl)methyl)carbonodithioate