(2-Carboxyethyl)dimethylsulfonium Chloride

Base Information

• Chemical Name: (2-Carboxyethyl)dimethylsulfonium Chloride
• CAS No.: 4337-33-1
• Molecular Formula: C5H11ClO2S
• Molecular Weight: 170.66
• Hs Code.: 2930909090
• European Community (EC) Number: 679-627-2
• NSC Number: 83252
• UNII: 6GDD2X927T
• DSSTox Substance ID: DTXSID80415714
• Wikidata: Q27264868
• Mol file: 4337-33-1.mol

Synonyms:(2-carboxyethyl)dimethylsulfonium chloride;3-dimethylsulfoniopropionate;beta-dimethylsulfoniopropionate;beta-DMSP;dimethyl-beta-propiothetin;dimethyl-beta-propiothetin chloride;dimethyl-propiothetin;dimethylpropiothetin;dimethylpropiothetin chloride;dimethylpropiothetin hydrochloride;dimethylsulfoniopropionate;dimethylsulfoniopropionate chloride;DMPT;S,S-dimethyl-beta-propiothetin;S-dimethylsulfonium propionic acid;sulfonium, (2-carboxyethyl)dimethyl-, chloride (1:1)

Chemical Property of (2-Carboxyethyl)dimethylsulfonium Chloride

Chemical Property:

• Melting Point: 129 °C
• PSA: 62.60000
• LogP: -2.65700
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.0168285
• Heavy Atom Count: 9
• Complexity: 80.5

Purity/Quality:

98%, ^*data from raw suppliers

(2-Carboxyethyl)(dimethyl)sulfonium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[S+](C)CCC(=O)O.[Cl-]
• Uses: (2-Carboxyethyl)dimethylsulfonium Chloride is the hydrochloride salt of Dimethylsulfoniopropionate (D479360), a metabolite produced primarily by marine phytoplankton and is the main precursor to the c limatically important gas dimethylsulfide (DMS). (2-Carboxyethyl)dimethylsulfonium Chloride is the hydrochloride salt of Dimethylsulfoniopropionate (D479360), a metabolite produced primarily by marine phytoplankton and is the main precursor to the climatically important gas dimethylsulfide (DMS).

Technology Process of (2-Carboxyethyl)dimethylsulfonium Chloride

There total 6 articles about (2-Carboxyethyl)dimethylsulfonium Chloride 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: 59.71%

chloropropionic acid (107-94-8) + dimethylsulfide (75-18-3) → (2‐carboxyethyl)dimethylsulfonium chloride (4337-33-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 168h; Solvent;

DOI:10.1134/S107036321709002X

Reference yield:

dimethylsulfide (75-18-3) + 3-(methanesulfonyloxy)propionic acid (1259387-79-5) → (2‐carboxyethyl)dimethylsulfonium chloride (4337-33-1)

Guidance literature:

dimethylsulfide; 3-(methanesulfonyloxy)propionic acid; In toluene; at 20 ℃; for 4h;

With hydrogenchloride; In water; toluene; at 20 ℃; for 1h; Temperature;

Reference yield:

methylene chloride (74-87-3) + 3-(methylsulfanyl)propionic acid (646-01-5) → (2‐carboxyethyl)dimethylsulfonium chloride (4337-33-1)

Guidance literature:

In ethyl acetate; at 2 ℃; for 4.25h; Time;

upstream raw materials:

β-Propiolactone

dimethylsulfide

nitromethane

acetonitrile

Downstream raw materials:

dimethylsulfide

dimethylsulfoniopropionate

Refernces

• 1、 Wirth, Joseph S.,Whitman, William B.. "An efficient method for synthesizing dimethylsulfonio-34S-propionate hydrochloride from 34S8". . p. 52 - 58. Retrieved 2019/01/04.
• 2、 -. "Method for preparing dimethyl-beta-propiothetin". Paragraph 0011; 0013; 0015. . Retrieved 2017/12/27.