2-(Chloromethyl)-5-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-(Chloromethyl)-5-(trifluoromethyl)pyridine
• CAS No.: 128790-14-7
• Molecular Formula: C7H5ClF3N
• Molecular Weight: 195.57000
• DSSTox Substance ID: DTXSID60593105
• Wikidata: Q82487514
• Mol file: 128790-14-7.mol

Synonyms:2-(CHLOROMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE;128790-14-7;Pyridine, 2-(chloromethyl)-5-(trifluoromethyl)-;2-chloromethyl-5-(trifluoromethyl)pyridine;SCHEMBL2303966;DTXSID60593105;AMY39561;MFCD10697590;AKOS006304374;AB60004;AS-50726;DB-354928;CS-0018914;EN300-205959;P10969;A888972

Chemical Property of 2-(Chloromethyl)-5-(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.515mmHg at 25°C
• Boiling Point: 198.1oC at 760 mmHg
• Flash Point: 73.6oC
• PSA: 12.89000
• Density: 1.359g/cm3
• 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

2-(Chloromethyl)-5-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(F)(F)F)CCl

Technology Process of 2-(Chloromethyl)-5-(trifluoromethyl)pyridine

There total 5 articles about 2-(Chloromethyl)-5-(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: 86.0%

2-hydroxymethyl-5-trifluoromethylpyridine (31181-84-7) → 5-trifluoromethyl-pyridin-2-ylmethyl chloride (128790-14-7)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 60h; Reflux;

DOI:10.1021/jm200377r

Reference yield:

ethereal hydrogen chloride + 5-(trifluoromethyl)pyridine-2-carboxylic acid hydrochloride (128790-13-6) + sulfuric acid (7664-93-9) + methanesulfonyl chloride (124-63-0) → 5-trifluoromethyl-pyridin-2-ylmethyl chloride (128790-14-7)

Guidance literature:

With sodium borohydrid; sodium hydrogencarbonate; triethylamine; In methanol; diethyl ether; ethanol; dichloromethane; water;

Reference yield:

2-Methyl-5-(trifluoromethyl)pyridine (31181-54-1) → 5-trifluoromethyl-pyridin-2-ylmethyl chloride (128790-14-7)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane;

DOI:10.1016/S0960-894X(98)00051-1

upstream raw materials:

2-Methyl-5-(trifluoromethyl)pyridine

5-(trifluoromethyl)pyridine-2-carboxylic acid hydrochloride

sulfuric acid

methanesulfonyl chloride

Downstream raw materials:

[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(5-trifluoromethyl-pyridin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid methyl ester

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