Dodecyl methyl sulfide

Base Information

• Chemical Name: Dodecyl methyl sulfide
• CAS No.: 3698-89-3
• Molecular Formula: C13H28S
• Molecular Weight: 216.431
• Hs Code.: 29309090
• European Community (EC) Number: 223-028-7
• NSC Number: 87889
• UNII: 77BO1DV08U
• DSSTox Substance ID: DTXSID2044929
• Nikkaji Number: J205.613E
• Wikidata: Q27266575
• ChEMBL ID: CHEMBL3184767
• Mol file: 3698-89-3.mol

Synonyms:Sulfide,dodecyl methyl (6CI,7CI,8CI);1-Methylthiododecane;2-Thiatetradecane;Dodecylmethyl sulfide;Dodecyl methyl sulphide;Methyl dodecyl sulfide;Methyl laurylsulfide;NSC 87889;n-Dodecyl methyl sulfide;Dodecyl methyl sulfide;

Chemical Property of Dodecyl methyl sulfide

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• Melting Point: -2°C(lit.)
• Refractive Index: n20/D 1.4610(lit.)
• Boiling Point: 290.004 °C at 760 mmHg
• Flash Point: 141.476 °C
• PSA: 25.30000
• Density: 0.842 g/cm³
• LogP: 5.27030
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 216.19117207
• Heavy Atom Count: 14
• Complexity: 91.2

Purity/Quality:

99% ^*data from raw suppliers

Dodecyl Methyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC

Technology Process of Dodecyl methyl sulfide

There total 15 articles about Dodecyl methyl sulfide 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: 100.0%

methyl iodide (74-88-4) + 1-dodecylthiol (112-55-0) → dodecyl methyl sulfide (3698-89-3)

Guidance literature:

1-dodecylthiol; With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

methyl iodide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.10.062

Reference yield: 99.0%

methyl dodecyl sulfoxide (3079-30-9) → dodecyl methyl sulfide (3698-89-3)

Guidance literature:

With 2,4-diphenyl-1,3-diselenadiphosphetane-2,4-diselenide; In toluene; for 10h; Heating;

DOI:10.1016/j.tetlet.2007.03.132

Reference yield: 93.0%

methanol (67-56-1) + potassium n-dodecanthiolate → Methyl formate (107-31-3) + dodecyl methyl sulfide (3698-89-3)

Guidance literature:

With carbon monoxide; at 150 ℃; for 17h; under 75006 Torr;

upstream raw materials:

1-dodecylbromide

sodium thiomethoxide

1-chlorododecane

dimethyl sulfate

Downstream raw materials:

methyl dodecyl sulfoxide

benzyl-dodecyl-methyl sulfonium ; chloride

toluene-4-sulfonic acid ; dodecyl-dimethyl sulfonium-salt

1-methylsulfonyldodecane

Refernces

• 1、 Minami, Hiroko,Nogi, Keisuke,Yorimitsu, Hideki. "Nickel-Catalyzed Negishi-Type Arylation of Trialkylsulfonium Salts". . p. 1542 - 1546. Retrieved 2021/09/06.
• 2、 Fujita, Shu,Mitsudome, Takato,Mizugaki, Tomoo,Yamaguchi, Sho,Yamasaki, Jun,Yamazoe, Seiji. "Nickel phosphide nanoalloy catalyst for the selective deoxygenation of sulfoxides to sulfides under ambient H2pressure". supporting information. p. 8827 - 8833. Retrieved 2020/11/23.