Dimethyl trithiocarbonate

Base Information

• Chemical Name: Dimethyl trithiocarbonate
• CAS No.: 2314-48-9
• Molecular Formula: C3H6 S3
• Molecular Weight: 138.279
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90177710
• Nikkaji Number: J48.457A
• Wikidata: Q83048028
• Mol file: 2314-48-9.mol

Synonyms:Dimethyl trithiocarbonate;2314-48-9;Carbonotrithioic acid, dimethyl ester;Trithiocarbonic acid dimethyl ester;dimethyl carbonotrithioate;CARBONIC ACID, TRITHIO-, DIMETHYL ESTER;Dimethylester kyseliny trithiouhlicite;BRN 1421113;Dimethylester kyseliny trithiouhlicite [Czech];bis(methylsulfanyl)methanethione;starbld0016586;(CH3S)2CS;SCHEMBL256003;Dimethyl trithiocarbonate, 98%;bis(methylsulfanyl)-methanethione;DTXSID90177710;AKOS015898867;LS-52140;FT-0601908;J-015005

Chemical Property of Dimethyl trithiocarbonate

Chemical Property:

• Vapor Pressure: 0.0251mmHg at 25°C
• Melting Point: −3 °C(lit.)
• Refractive Index: n20/D 1.675(lit.)
• Boiling Point: 101-102 °C12 mm Hg(lit.)
• Flash Point: 108.7°C
• PSA: 82.69000
• Density: 1.245g/cm³
• LogP: 1.99730
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.96316371
• Heavy Atom Count: 6
• Complexity: 44

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethyl trithiocarbonate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC(=S)SC
• Uses: Dimethyl trithiocarbonate may be used in the following studies:Preparation of methyl-β,β′-dicarbonyldithiocarboxylate derivatives. Generation of tris(organothiyl)methyl radicals and these radicals were evaluated using EPR spectroscopy. Preparation of β-oxodithiocarboxylates.

Technology Process of Dimethyl trithiocarbonate

There total 9 articles about Dimethyl trithiocarbonate 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: 4.0%

carbon disulfide (75-15-0,12122-00-8) + ethane-1,2-dithiol (540-63-6) + methyl iodide (74-88-4) → 1,3-dithiolane-2-thione (822-38-8) + (S,S)-dimethyl trithiocarbonate (2314-48-9) + 1,2-ethanediyl bis(methyl trithiocarbonate) (57443-63-7) + methyl 2-(methylthio)ethyl trithiocarbonate

Guidance literature:

With sodium hydroxide; In water; at 10 ℃; for 3h;

DOI:10.1246/bcsj.60.435

Reference yield:

carbon disulfide (75-15-0,12122-00-8) → (S,S)-dimethyl trithiocarbonate (2314-48-9) + dimethylsulfide (75-18-3) + tetrakis(methylthio)ethene (13046-50-9) + Tetrathiooxalsaeure-dimethylester (61485-47-0)

Guidance literature:

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + methylmagnesium chloride (676-58-4) + dimethyl sulfate (77-78-1) → (S,S)-dimethyl trithiocarbonate (2314-48-9) + methyl dithioacetate (2168-84-5)

Guidance literature:

Multistep reaction; 1) 2 h, 40-45 deg C, THF; 2) room temp.;

DOI:10.1021/jo00314a050

upstream raw materials:

carbon disulfide

methylmagnesium chloride

dimethyl sulfate

methyl 4,6-O-benzylidene-α-D-galactopyranoside

Downstream raw materials:

N,N',N''-triphenylguanidine

1,1-diphenylthiourea

N,N-diphenylthiourea

S-methyl N-methyl dithiocarbamate

Refernces

• 1、 Hartke, Klaus. "NEW ASPECTS OF DITHIO AND THIONO ESTERS". . p. 223 - 253. Retrieved 2007/10/02.
• 2、 Mocerino, Mauro,Stick, Robert V.. "The Synthesis of (2S,3R)-2-Hydroxymethylpiperidin-3-ol, a Fragment of the Alakloid Swainsonine". . p. 1183 - 1193. Retrieved 2007/10/02.