Diethyl dithiol oxalate

Base Information

• Chemical Name: Diethyl dithiol oxalate
• CAS No.: 615-85-0
• Molecular Formula: C6H10 O2 S2
• Molecular Weight: 178.276
• DSSTox Substance ID: DTXSID30870697
• Nikkaji Number: J810.193K
• Mol file: 615-85-0.mol

Synonyms:Diethyl dithiol oxalate;Dithyl dithiooxalate;USAF EK-2251;BRN 1704712;Oxalic acid, dithio-, S,S-diethyl ester;Ethanebis(thioic) acid, S,S-diethyl ester;Diathyldithiooxalat;DTXSID30870697;1,2-Diethoxyethane-1,2-bisthione;1,2-DIETHYL ETHANEDITHIOATE;LS-99433;1-02-00-00244 (Beilstein Handbook Reference)

Chemical Property of Diethyl dithiol oxalate

Chemical Property:

• Vapor Pressure: 0.539mmHg at 25°C
• Melting Point: 27°C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 197.2°C at 760 mmHg
• Flash Point: 73.1°C
• PSA: 84.74000
• Density: 1.186g/cm³
• LogP: 1.54580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 178.01222190
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)C(=S)OCC

Technology Process of Diethyl dithiol oxalate

There total 3 articles about Diethyl dithiol oxalate 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: 92.0%

oxalyl dichloride (79-37-8) + ethanethiol (75-08-1) → ethanebis(thioic)acid-S,S'-diethylester (615-85-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 13h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00639

Reference yield:

tetrakis(ethylthio)ethene (35994-88-8) → ethanebis(thioic)acid-S,S'-diethylester (615-85-0)

Guidance literature:

With oxygen; rose bengal; In acetone; Irradiation;

DOI:10.1016/S0040-4020(01)83391-3

Reference yield:

→ ethanebis(thioic)acid-S,S'-diethylester (615-85-0)

Guidance literature:

Ethylen I, hν, O2;

DOI:10.1039/C39720000477

upstream raw materials:

oxalyl dichloride

ethanethiol

tetrakis(ethylthio)ethene

Downstream raw materials:

potassium 1,2-dithiooxalate

2,5-Bis-(triphenyl-λ⁵-phosphanylidene)-hexane-3,4-dione

Dimethyl 3,4-dioxo-2,5-bis(triphenylphosphoranylidene)hexane-1,6-dioate

Refernces