3,3-Bis(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]prop-2-EN-1-one

Base Information

• Chemical Name: 3,3-Bis(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]prop-2-EN-1-one
• CAS No.: 116609-88-2
• Molecular Formula: C12H11 F3 O S2
• Molecular Weight: 292.346
• DSSTox Substance ID: DTXSID20561608
• Mol file: 116609-88-2.mol

Synonyms:116609-88-2;3,3-BIS(METHYLSULFANYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE;SCHEMBL4043625;DTXSID20561608;3,3-bis(methylthio)-1-(3-trifluoromethylphenyl)-2- propen-1-one;3,3-bis(methylthio)-1-(3-trifluoromethylphenyl)-2-propen-1-one;3,3-BIS-METHYLSULFANYL-1-(3-TRIFLUOROMETHYL-PHENYL)-PROPENONE

Chemical Property of 3,3-Bis(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]prop-2-EN-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 352.128°C at 760 mmHg
• Flash Point: 166.761°C
• PSA: 67.67000
• Density: 1.297g/cm³
• LogP: 4.45550
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.02034180
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-(3-TRIFLUOROMETHYL-PHENYL)-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-Bis(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]prop-2-EN-1-one

There total 4 articles about 3,3-Bis(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]prop-2-EN-1-one 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: 42.0%

3'-(trifluoromethyl)acetophenone (349-76-8) + methyl iodide (74-88-4) → 3,3-bis(methylthio)-1-(3'-trifluoromethylphenyl)-2-propen-1-one (116609-88-2)

Guidance literature:

carbon disulfide; 3'-(trifluoromethyl)acetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + dimethyl sulfate (77-78-1) + 3'-(trifluoromethyl)acetophenone (349-76-8) → 3,3-bis(methylthio)-1-(3'-trifluoromethylphenyl)-2-propen-1-one (116609-88-2)

Guidance literature:

3'-(trifluoromethyl)acetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

carbon disulfide; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

dimethyl sulfate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c4ob01300j

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 3'-(trifluoromethyl)acetophenone (349-76-8) + methyl iodide (74-88-4) → 3,3-bis(methylthio)-1-(3'-trifluoromethylphenyl)-2-propen-1-one (116609-88-2)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMSO, r.t., 3 h; 2.) DMSO, r.t., 2 h;

DOI:10.1007/BF00811088

upstream raw materials:

carbon disulfide

3'-(trifluoromethyl)acetophenone

methyl iodide

dimethyl sulfate

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