Trimethylsulfonium bromide

Base Information

• Chemical Name: Trimethylsulfonium bromide
• CAS No.: 3084-53-5
• Molecular Formula: C3H9BrS
• Molecular Weight: 157.074
• Hs Code.: 29309090
• European Community (EC) Number: 678-448-7
• NSC Number: 140307
• UNII: J59NCR7385
• DSSTox Substance ID: DTXSID90883945
• Wikidata: Q27281220
• Mol file: 3084-53-5.mol

Synonyms:Sulfonium,trimethyl-, bromide (8CI,9CI);Trimethylsulfonium bromide (6CI,7CI);

Chemical Property of Trimethylsulfonium bromide

Chemical Property:

• Appearance/Colour: Solid.
• Melting Point: 203 °C
• PSA: 25.30000
• LogP: -2.50190
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 155.96083
• Heavy Atom Count: 5
• Complexity: 8

Purity/Quality:

99% ^*data from raw suppliers

Trimethylsulfonium bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[S+](C)C.[Br-]

Technology Process of Trimethylsulfonium bromide

There total 20 articles about Trimethylsulfonium bromide 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: 68.0%

dimethylsulfide (75-18-3) + bromonitromethane (563-70-2) → trimethylsulphonium bromide (3084-53-5) + methylsulfanyl(nitro)methane (88096-62-2)

Guidance literature:

at 50 ℃; for 96h;

Reference yield:

methyl bromide (74-83-9) + dimethylsulfide (75-18-3) → trimethylsulphonium bromide (3084-53-5)

Guidance literature:

With formic acid;

DOI:10.1021/ja01060a050

Reference yield:

nitromethane (75-52-5) + 2-phenylbut-3-en-2-ol (6051-52-1) + dimethyl sulfoxide (67-68-5,8070-53-9) → 3-phenylthiophene (2404-87-7) + trimethylsulphonium bromide (3084-53-5)

Guidance literature:

With hydrogen bromide; acetic acid; potassium bromide; at 120 ℃; for 12h; Sealed tube;

DOI:10.1002/anie.202109026

upstream raw materials:

methyl bromide

2,4-dithiapentane

dimethylsulfide

bromocyane

Downstream raw materials:

methyl bromide

dimethylsulfide

trans-2-phenyl-phenylsulfonyl cyclopropane

2-furyloxirane

Refernces

• 1、 Svensson, Per H.,Kloo, Lars. "Trimethylsulfonium bromide". . p. 2580 - 2581. Retrieved 1996.
• 2、 Kaltzoglou, Andreas,Elsenety, Mohamed M.,Koutselas, Ioannis,Kontos, Athanassios G.,Papadopoulos, Kyriakos,Psycharis, Vassilis,Raptopoulou, Catherine P.,Perganti, Dorothea,Stergiopoulos, Thomas,Falaras, Polycarpos. "Synthesis, characterization and optoelectronic properties of chemically stable (CH3)3SPbI3?xBrx and (CH3)3SPbI3?xClx (x?=?0, 1, 2, 3) perovskites". . p. 67 - 73. Retrieved 2017/12/26.