Methoxycarbonyl methyl disulfide

Base Information

• Chemical Name: Methoxycarbonyl methyl disulfide
• CAS No.: 55048-60-7
• Molecular Formula: C3H6O2S2
• Molecular Weight: 138.2085
• DSSTox Substance ID: DTXSID00203594
• Nikkaji Number: J876.834J
• Wikidata: Q83076999
• Mol file: 55048-60-7.mol

Synonyms:Methoxycarbonyl methyl disulfide;Carbono(dithioperoxoic) acid, dimethyl ester;55048-60-7;Methoxy(methyldithio)methanone;SCHEMBL11454538;DTXSID00203594

Chemical Property of Methoxycarbonyl methyl disulfide

Chemical Property:

• Vapor Pressure: 0.765mmHg at 25°C
• Boiling Point: 183.6°Cat760mmHg
• Flash Point: 78.4°C
• Density: 1.262g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 137.98092178
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)SSC

Technology Process of Methoxycarbonyl methyl disulfide

There total 2 articles about Methoxycarbonyl methyl disulfide 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: 60.0%

methanol (67-56-1) + ((methyl)dithio)carbonyl chloride (13063-89-3) → S-methylsulfenyl O-methyl thiocarbonate (55048-60-7)

Guidance literature:

at 0 ℃;

DOI:10.1021/jo00172a056

Reference yield:

methyl O-methyldithiocarbonate (19708-81-7) → S-methyl-O-methyl monothiocarbonate (38103-95-6) + S-methylsulfenyl O-methyl thiocarbonate (55048-60-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; Title compound not separated from byproducts;

Reference yield: 50.0%

S-methylsulfenyl O-methyl thiocarbonate (55048-60-7) + diphenylmethyl (6R,7R)-7-isocyano-3-methylceph-3-em-4-carboxylate (52681-36-4) → C23H20N2O3S2 (132261-21-3)

Guidance literature:

With copper(I) oxide; In tetrahydrofuran; at 45 ℃; for 3.5h;

DOI:10.1021/jm00107a035

upstream raw materials:

methanol

((methyl)dithio)carbonyl chloride

methyl O-methyldithiocarbonate

Downstream raw materials:

3-methyl-2-((1S)-1-methylsulfanyl-7-oxo-(1rH,5cH)-4-thia-2,6-diaza-bicyclo[3.2.0]hept-2-en-6-yl)-but-2-enoic acid benzyl ester

3-methyl-7c-methylsulfanyl-7t-(4-nitro-benzylideneamino)-8-oxo-(6rH)-4-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester

3-methyl-7c-methylsulfanyl-7t-(4-nitro-benzylideneamino)-8-oxo-(6rH)-4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitro-benzyl ester

3-acetoxymethyl-7c-methylsulfanyl-7t-(4-nitro-benzylideneamino)-8-oxo-(6rH)-4-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitro-benzyl ester

Refernces

• 1、 Barany, George,Schroll, Alayne L.,Mott, Andrew W.,Halsrud, David A.. "A General Strategy for Elaboration of the Dithiocarbonyl Functionality, -(C=O)SS-: Application to the Synthesis of Bis(chlorocarbonyl)disulfane and Related Derivatives of Thiocarbonic Acids". . p. 4750 - 4761. Retrieved 2007/10/02.