Copper(I) Trifluoromethanethiolate

Base Information

• Chemical Name: Copper(I) Trifluoromethanethiolate
• CAS No.: 3872-23-9
• Molecular Formula: CCuF3S
• Molecular Weight: 164.618
• Hs Code.: 2930909090
• European Community (EC) Number: 803-920-8
• DSSTox Substance ID: DTXSID90371554
• Nikkaji Number: J208.273J
• Wikidata: Q72089530
• Mol file: 3872-23-9.mol

Synonyms:Copper(I) Trifluoromethanethiolate;3872-23-9;copper(1+);trifluoromethanethiolate;Copper(I) trifluoromethanethiol;COPPER TRIFLUOROMETHANETHIOL;Trifluoromethylthiocopper(I);SCHEMBL8077444;Copper(I)Trifluoromethanethiolate;DTXSID90371554;Trifluoromethanethiol Copper(I) Salt;AKOS005259502;Copper(I) trifluoromethanethiolate 80%;C1159;CS-0207494;FT-0600345;A824244;4-TERT-BUTYLCALIX(6)ARENE-HEXAACETICACIDHEXAETHYLESTER

Chemical Property of Copper(I) Trifluoromethanethiolate

Chemical Property:

• PSA: 25.30000
• LogP: 1.70120
• Storage Temp.: 0-10°C
• Solubility.: Acetonitrile (Sparingly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 163.896878
• Heavy Atom Count: 6
• Complexity: 28.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Copper(I) Trifluoromethanethiolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)[S-].[Cu+]
• Uses: Copper(I) Trifluoromethanethiolate is useful for the synthesis of (trifluoromethylthiomethyl/trifluoromethylsulfonylmethyl)dihydropyrazoles.

Technology Process of Copper(I) Trifluoromethanethiolate

There total 2 articles about Copper(I) Trifluoromethanethiolate 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: 97.0%

copper(l) iodide (7681-65-4) + silver(I) trifluoromethanethiolate (811-68-7) → Copper(I) trifluoromethanethiolate (3872-23-9)

Guidance literature:

With water; In acetonitrile; at -25 - 23 ℃; for 10h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201402105

Reference yield: 97.0%

silver(I) trifluoromethanethiolate (811-68-7) + copper(I) bromide (7787-70-4) → Copper(I) trifluoromethanethiolate (3872-23-9)

Guidance literature:

In acetonitrile; for 1h; Sealed tube;

DOI:10.1002/chem.201402679

Reference yield: 86.0%

(3S)-3-(4-Chlorophenyl)-4-[(R)-1-(4-chlorophenyl)ethyl]-7-iodo-1,3-dihydro-1,4-benzodiazepine-2,5-dione (787633-96-9) + Copper(I) trifluoromethanethiolate (3872-23-9) → (3S)-3-(4-chlorophenyl)-4-[(R)-1-(4-chlorophenyl)ethyl]-7-(trifluoromethylthio)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (787633-67-4) + (3R)-3-(4-chlorophenyl)-4-[(R)-1-(4-chlorophenyl)ethyl]-7-(trifluoromethylthio)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (787633-68-5)

Guidance literature:

With copper(l) iodide; potassium carbonate; ethylene glycol; In isopropyl alcohol; at 110 ℃; for 24h;

upstream raw materials:

silver(I) trifluoromethanethiolate

copper(I) bromide

copper(l) iodide

Downstream raw materials:

p-nitrophenyl trifluoromethyl sulfide

phenyl trifluoromethylsulfide

1-methyl-2-[(trifluoromethyl)thio]benzene

Bis(trifluoromethyl)disulfid

Refernces

• 1、 Nikolaienko, Pavlo,Pluta, Roman,Rueping, Magnus. "Direct trifluoromethylthiolation of alcohols under mild reaction conditions: Conversion of R-OH into R-SCF3". supporting information. p. 9867 - 9870. Retrieved 2014/08/18.