13636-88-9

Basic information

• Product Name: 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE
• Synonyms: 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE;3,3-BIS(METHYLTHIO)-1-PHENYLPROP-2-EN-1-ONE;3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one;3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one;2-Propen-1-one,3,3-bis(methylthio)-1-phenyl-
• CAS NO: 13636-88-9
• Molecular Formula: C₁₁H₁₂OS₂
• Molecular Weight: 224.34
• Mol File: 13636-88-9.mol
• Article Data: 47

Chemical Properties

• Melting Point: 95 °C(Solv: hexane (110-54-3))
• Boiling Point: 336.3°Cat760mmHg
• Flash Point: 141.8°C
• Appearance: /
• Density: 1.169g/cm³
• Vapor Pressure: 0.000113mmHg at 25°C
• Refractive Index: 1.605
• CAS DataBase Reference: 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE(13636-88-9)
• EPA Substance Registry System: 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE(13636-88-9)

Safety Data

• Hazardous Substances Data: 13636-88-9(Hazardous Substances Data)

Usage

General Description

3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE is a chemical compound with the molecular formula C12H14OS2. It is also known as Methyldiphenyl sulfonium triflate or MDPST. 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE is a sulfur-containing organic compound and is commonly used as a sulfonium salt in organic synthesis. It is a colorless liquid with a pungent odor and is used as a reagent in various chemical reactions, particularly in the formation of carbon-sulfur bonds. It has applications in pharmaceutical and agrochemical industries, as well as in the production of specialty chemicals. 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE is also known for its role in the synthesis of complex organic molecules.

InChI:InChI=1/C11H12OS2/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3

Upstream product

• 15185-51-0 3-oxo-3-phenyl-dithiopropionic acid 
• 74-88-4 methyl iodide 
• 110-91-8 morpholine 
• 98606-77-0 2-bromo-3,3-bis(methylthio)-1-phenylprop-2-en-1-one 
• 52894-99-2 2--1,3-diphenyl-1,3-propanedione 
• 124-41-4 sodium methylate 
• 89003-18-9 3,3-bis(methylthio)-2-benzyl-1-phenylprop-2-en-1-one 
• 89003-26-9 3-methylthio-2-methylthiomethylchalcone 
• 75-15-0 carbon disulfide 
• 74-83-9 methyl bromide 
• 98-86-2 acetophenone 
• 77-78-1 dimethyl sulfate 
• 19708-81-7 methyl O-methyldithiocarbonate 
• 64608-21-5 2-(3,3-bis(methylthio)-1-phenylallylidene)malononitrile 

Downstream Products

• 54994-44-4 4-Morpholin-4-yl-6-phenyl-pyrimidin-2-ylamine 
• 98190-30-8 5-Methylsulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine 
• 113200-36-5 4,4-Bis-methylsulfanyl-2-phenyl-1-pyridin-2-yl-but-3-en-2-ol 
• 78227-67-5 (E)-3-Methylsulfanyl-1-phenyl-5-pyridin-2-yl-pent-2-ene-1,5-dione 
• 614-27-7 methyl 3-oxo-3-phenylpropionate 
• 87568-78-3 4-Methylsulfanyl-6-phenyl-2-thiophen-2-yl-pyrimidine 
• 81874-55-7 2,6-bis<2-<4-(methylthio)-6-phenyl>pyridinyl>pyridine 
• 123559-05-7 3,3-bismethylthio-1-methyl-1-phenylprop-2-en-1-ol 
• 130874-71-4 3-(2-Methyl-4-phenylthiazol-5-yl)-S-methylthiocinnamate 
• 130874-72-5 1,1-Bis(methylthio)-3-phenyl-4-(4-phenylthiazol-2-yl)butadiene 
• 144785-53-5 1,3-Dimethyl-7-methylsulfanyl-5-phenyl-1H-quinazoline-2,4-dione 
• 84735-55-7 2,2-bis(methylthio)-4-phenyl-2,5-dihydrofuran 
• 90254-54-9 1,3-dimethyl-5-methylthio-7-phenylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione 
• 72814-47-2 2-Methylthio-4-phenylthiophene 

Relevant articles and documents

Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate

The ligands 4-methylthio-6-phenyl-2,2′-bipyridine (1) and the corresponding sulfoxide (2) and sulfone (3) have been synthesized and characterized in solution, and in the solid state by single crystal X-ray diffraction. Compounds 2 and 3 crystallize in the same space group (C2/c) with similar unit cell parameters; a small increase in the unit cell volume allows for the presence of the extra oxygen atom in 3. The sulfoxide and sulfone groups adopt conformations that permit intramolecular O...HCaryl hydrogen bonds. The complexes [Ir(ppy)2L][PF6] with L = 1, 2 or 3 have been prepared and characterized. The asymmetric sulfur atom in ligand 2 gives rise to pairs of diastereoisomers of the complex which can be distinguished in the 1H and 13C NMR spectra. In solution, exchange of [PF6]- by [Δ-TRISPHAT]- gives rise to four diastereoisomers and we observed good dispersion of 1H NMR resonances, especially for those assigned to protons close to the asymmetric sulfur atom. A single crystal X-ray diffraction study of 2{[Ir(ppy) 2(3)][PF6]}·CHCl3·3H 2O reveals that the complex crystallizes in the chiral space group P212121, the asymmetric unit containing crystallographically independent Δ- and Λ-[Ir(ppy) 2(3)]+ cations. This provides a rare example of a so-called kryptoracemate in the solid state. In MeCN solution, [Ir(ppy) 2(1)][PF6], [Ir(ppy)2(2)][PF6] and [Ir(ppy)2(3)][PF6] are weakly emissive (λem = 600, 647 and 672 nm, respectively) and preliminary studies of the electroluminescent properties of [Ir(ppy)2(2)][PF 6] indicate that the complexes are not suitable candidates for LECs.

Evaluation of [12C/11C]carbon monoxide binding to copper(I) tris(pyrazolyl)borate complexes

The copper(I) coordination chemistry of tris(3-R-5-R′-pyrazolyl) borate ligands (TpR,R′) bearing substituent groups attached to the pyrazole rings has been investigated under nitrogen and carbon monoxide atmospheres [1 (TpPh,SMe) R =

Palladium-Catalyzed Fluoroalkylation via C(sp3)-S Bond Cleavage of Vinylsulfonium Salts

An interrupted Pummerer/palladium-catalyzed fluoro-alkylation strategy was developed for alkenyl C-H fluoroalkylthiolation. Palladium-catalyzed ring-opening fluoroalkylation via aliphatic C-S bond cleavage of the vinylsulfonium salts efficiently afforded

Transition metal free synthesis of multifunctional thiomethylated-benzenes from aryl/heteroaryl/cyclopropyl methyl ketones

A base-promoted strategic synthesis of various functionalized thiomethylated-benzenes has been established from aryl/heteroaryl/cyclopropyl methyl ketone. We can directly access the thiomethylated-benzene nucleus embedded with diverse functional group by