3,3-Bis(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]prop-2-EN-1-one

Base Information

• Chemical Name: 3,3-Bis(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]prop-2-EN-1-one
• CAS No.: 116609-87-1
• Molecular Formula: C12H11 F3 O S2
• Molecular Weight: 293.3482896
• DSSTox Substance ID: DTXSID50561611
• Mol file: 116609-87-1.mol

Synonyms:116609-87-1;3,3-BIS(METHYLSULFANYL)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE;3,3-Bis(Methylsulfanyl)-1-[4-(Trifluoromethyl)Phenyl]-2-Propen-1-One;SCHEMBL9619495;DTXSID50561611;3,3-bis-(methylthio)-1-(4'-trifluoromethylphenyl)-2-propen-1-one;3,3-BIS-METHYLSULFANYL-1-(4-TRIFLUOROMETHYL-PHENYL)-PROPENONE

Chemical Property of 3,3-Bis(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]prop-2-EN-1-one

Chemical Property:

• Vapor Pressure: 3.52E-05mmHg at 25°C
• Melting Point: 88 °C
• Refractive Index: 1.543
• Boiling Point: 353.7°C at 760 mmHg
• Flash Point: 167.7°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: 312

Purity/Quality:

96% ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-(4-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=C(C=C1)C(F)(F)F)SC

Technology Process of 3,3-Bis(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]prop-2-EN-1-one

There total 1 articles about 3,3-Bis(methylsulfanyl)-1-[4-(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:

carbon disulfide (75-15-0,12122-00-8) + 1-(4-trifluoromethylphenyl)ethanone (709-63-7) + methyl iodide (74-88-4) → 3,3-bis-(methylthio)-1-(4'-trifluoromethylphenyl)-2-propen-1-one (116609-87-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; toluene; at 0 ℃; for 24h;

DOI:10.1021/ol503731s

Reference yield: 88.0%

3,3-bis-(methylthio)-1-(4'-trifluoromethylphenyl)-2-propen-1-one (116609-87-1) + 1,2-diamino-benzene (95-54-5) → C17H13F3N2S

Guidance literature:

With aluminum oxide; at 90 ℃; for 4h; regioselective reaction;

DOI:10.1039/c3ra43347a

Reference yield: 87.0%

3,3-bis-(methylthio)-1-(4'-trifluoromethylphenyl)-2-propen-1-one (116609-87-1) + 4-methyl-1,2-diaminobenzene (496-72-0) → C18H15F3N2S

Guidance literature:

With aluminum oxide; at 90 ℃; for 4h; regioselective reaction;

DOI:10.1039/c3ra43347a

upstream raw materials:

carbon disulfide

1-(4-trifluoromethylphenyl)ethanone

methyl iodide

Downstream raw materials:

2-(3'-trifluoromethylphenyl)-4-methylthio-6-(4'-trifluoromethylphenyl)pyridine

C₁₇H₁₄F₃NOS

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