Benzyl trifluoromethyl sulfide

Base Information

• Chemical Name: Benzyl trifluoromethyl sulfide
• CAS No.: 351-60-0
• Molecular Formula: C8H7 F3 S
• Molecular Weight: 192.205
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20396356
• Nikkaji Number: J359.865I
• Wikidata: Q72443197
• Mol file: 351-60-0.mol

Synonyms:BENZYL TRIFLUOROMETHYL SULFIDE;351-60-0;Trifluoromethylsulfanylmethylbenzene;(trifluoromethylthio)methylbenzene;benzyl(trifluoromethyl)sulfane;{[(trifluoromethyl)sulfanyl]methyl}benzene;SCHEMBL2154643;Benzyl (trifluoromethyl) sulfide;DTXSID20396356;Trifluoromethylsulfanylmethyl-benzene;AKOS006292569;CS-0133102;FT-0677321;(S)-3-Amino-3-(2-chloro-phenyl)-propionicacid;A822615;J-019966;J-519821

Chemical Property of Benzyl trifluoromethyl sulfide

Chemical Property:

• Vapor Pressure: 1.78mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 172.4°Cat760mmHg
• Flash Point: 58.1°C
• PSA: 25.30000
• Density: 1.259g/cm³
• LogP: 3.43960
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.02205588
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

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

Benzyltrifluoromethylsulfide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(F)(F)F

Technology Process of Benzyl trifluoromethyl sulfide

There total 31 articles about Benzyl trifluoromethyl sulfide 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: 95.0%

Bis(trifluoromethyl)disulfid (372-64-5) + benzyl tetraethylphosphorodiamidite (66954-57-2) → benzyl trifluoromethyl sulfide (351-60-0) + bis(diethylamido)-S-trifluoromethylphosphorothioate

Guidance literature:

In pentane; at -50 ℃; for 0.0833333h;

DOI:10.1055/s-1994-25422

Reference yield: 95.0%

benzyl bromide (100-39-0) + tetrakis(dimethylamino)ethanebis(ylium) bis(trifluoro-methanethiolate) → benzyl trifluoromethyl sulfide (351-60-0)

Guidance literature:

In N,N-dimethyl-formamide; acetonitrile; at 0 - 20 ℃; for 0.5h;

DOI:10.1039/b002252g

Reference yield: 92.0%

N,4-dimethyl-N-[(trifluoromethyl)-sulfanyl]benzene-1-sulfonamide + benzyl alcohol (100-51-6,185532-71-2) → benzyl trifluoromethyl sulfide (351-60-0)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In acetone; at 60 ℃; for 20h; Temperature; Solvent;

DOI:10.1002/ejoc.201600197

upstream raw materials:

silver(I) trifluoromethanethiolate

iodomethylbenzene

Bromotrifluoromethane

benzyl thiocyanate

Downstream raw materials:

benzyl trifluoromethyl sulfone

(((trifluoromethyl)sulfinyl)methyl)benzene

Refernces

• 1、 Billard, Thierry,Langlois, Bernard R.. "A new simple access to trifluoromethyl thioethers or selenoethers from trifluoromethyl trimethylsilane and disulfides or diselenides". . p. 6865 - 6868. Retrieved 1996.
• 2、 Carlton, C. Grace,McDouall, Joseph J. W.,Perry, Gregory J. P.,Procter, David J.,Tayu, Masanori,Wang, Dong. "Trifluoromethyl Sulfoxides: Reagents for Metal-Free C?H Trifluoromethylthiolation". supporting information. p. 15918 - 15922. Retrieved 2020/07/20.
• 3、 Bao, Rui-Peng,Chen, Xian,Li, Chen,Wang, Dong-Hui. "Ir(III)-Catalyzed mono-olefination of Aryl C-H Bonds Using -SCF3 as a Weak directing group". supporting information. p. 8116 - 8121. Retrieved 2019/10/14.