Dodecyldimethylsulfonium iodide

Base Information

• Chemical Name: Dodecyldimethylsulfonium iodide
• CAS No.: 18412-81-2
• Molecular Formula: C14H31 S . I
• Molecular Weight: 358.371
• Hs Code.: 2930909090
• ChEMBL ID: CHEMBL2003446
• DSSTox Substance ID: DTXSID50597455
• NSC Number: 72055
• Mol file: 18412-81-2.mol

Synonyms:18412-81-2;DODECYLDIMETHYLSULFONIUM IODIDE;dodecyl(dimethyl)sulfanium;iodide;Dodecyl(dimethyl)sulfanium iodide;Sulfonium, dodecyldimethyl-, iodide;SCHEMBL3841593;CHEMBL2003446;DTXSID50597455;NSC72055;NSC-72055

Chemical Property of Dodecyldimethylsulfonium iodide

Chemical Property:

• Melting Point: 68 °C
• PSA: 25.30000
• LogP: 1.78920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 358.11912
• Heavy Atom Count: 16
• Complexity: 110

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC[S+](C)C.[I-]

Technology Process of Dodecyldimethylsulfonium iodide

There total 2 articles about Dodecyldimethylsulfonium iodide 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: 71.0%

dodecyl methyl sulfide (3698-89-3) + methyl iodide (74-88-4) → dodecyl-dimethylsulphonium iodide (18412-81-2)

Guidance literature:

In tetrahydrofuran; at 10 ℃; for 120h;

DOI:10.1039/P19830001941 DOI:10.1021/ja00341a039

Reference yield:

dimethylsulfide (75-18-3) + 1-Iodododecane (4292-19-7) → dodecyl-dimethylsulphonium iodide (18412-81-2)

Guidance literature:

In acetone; at 20 ℃;

DOI:10.1021/jp036859v

Reference yield: 95.0%

dodecyl-dimethylsulphonium iodide (18412-81-2) + phenol (108-95-2,27073-41-2) → S-methyl-L-cysteine (1187-84-4,7728-98-5) + methoxybenzene (100-66-3)

Guidance literature:

With potassium hydroxide; In water; at 70 ℃; for 5h; pH = 9;

DOI:10.1039/P19830001941

upstream raw materials:

dodecyl methyl sulfide

methyl iodide

dimethylsulfide

1-Iodododecane

Downstream raw materials:

S-methyl-L-cysteine

1-methylinosine

3-methylthymidine

3-methyluridine

Refernces

• 1、 Paulsson, Helene,Hagfeldt, Anders,Kloo, Lars. "Molten and Solid Trialkylsulfonium Iodides and Their Polyiodides as Electrolytes in Dye-Sensitized Nanocrystalline Solar Cells". . p. 13665 - 13670. Retrieved 2007/10/03.