Pyridine, 2-[(trifluoromethyl)thio]-

Base Information

• Chemical Name: Pyridine, 2-[(trifluoromethyl)thio]-
• CAS No.: 57830-49-6
• Molecular Formula: C6H4F3NS
• Molecular Weight: 179.16300
• DSSTox Substance ID: DTXSID50449187
• Nikkaji Number: J785.522B
• Wikidata: Q82268576

Synonyms:57830-49-6;2-[(trifluoromethyl)sulfanyl]pyridine;Pyridine, 2-[(trifluoromethyl)thio]-;2-(trifluoromethylsulfanyl)pyridine;2-(Trifluoromethylthio)pyridine;SCHEMBL10739482;DTXSID50449187;CZHXAJUGVVDTNH-UHFFFAOYSA-N;EN300-211923

Chemical Property of Pyridine, 2-[(trifluoromethyl)thio]-

Chemical Property:

• PSA: 38.19000
• LogP: 2.69350
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 179.00165479
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

2-[(trifluoromethyl)sulfanyl]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SC(F)(F)F

Technology Process of Pyridine, 2-[(trifluoromethyl)thio]-

There total 14 articles about Pyridine, 2-[(trifluoromethyl)thio]- 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%

1-hydroxy-2(1H)-pyridinethione (1121-30-8) + 2,2,3,3,3-pentafluoropropanoic anhydride (356-42-3) + pentadecafluorooctanoyl chloride (335-64-8) + trifluoroacetic anhydride (407-25-0) + heptafluorobutyric anhydride (336-59-4) → 2-(trifluoromethylthio)pyridine (57830-49-6) + 2-pyridyl pentafluoroethyl sulfide (107146-03-2) + 2-(perfluoro-n-buthylthio)-pyridine (107146-04-3) + 2-(perfluoroheptylthio)-pyridine (107146-05-4)

Guidance literature:

Product distribution; Irradiation; further reactions inpresence of perfluorobutyric anhydride with different alkenes;

DOI:10.1016/S0040-4020(01)90613-1

Reference yield: 90.0%

2,2'-dipyridyldisulphide (2127-03-9) + iodotrifluoromethane (2314-97-8,263005-66-9) → 2-(trifluoromethylthio)pyridine (57830-49-6)

Guidance literature:

With Tetrakis(dimethylamino)ethylen; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

DOI:10.1021/jo060250j

Reference yield: 86.0%

2-Sulfanylpyridine (2637-34-5,73018-10-7) + Langlois reagent (2926-29-6) → 2-(trifluoromethylthio)pyridine (57830-49-6)

Guidance literature:

With iodine pentoxide; In dimethyl sulfoxide; at 110 ℃; for 24h;

DOI:10.1039/c5cy01561h

upstream raw materials:

1-hydroxy-2(1H)-pyridinethione

2,2,3,3,3-pentafluoropropanoic anhydride

pentadecafluorooctanoyl chloride

trifluoroacetic anhydride

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