4,5-DICYANO-1,3-DITHIOL-2-ONE

Base Information

• Chemical Name: 4,5-DICYANO-1,3-DITHIOL-2-ONE
• CAS No.: 934-31-6
• Molecular Formula: C5N2 O S2
• Molecular Weight: 168.1963
• Hs Code.: 2930909090
• Mol file: 934-31-6.mol

Synonyms:Carbonicacid, dithio-, cyclic S,S-dicyanovinylene ester (6CI); Carbonic acid, dithio-,cyclic S,S-ester with 2,3-dimercapto-2-butenedinitrile (8CI); Carbonic acid,dithio-, cyclic S,S-ester with dimercaptomaleonitrile (7CI); 2-Butenedinitrile,2,3-dimercapto-, cyclic dithiocarbonate (8CI); 4,5-Dicyano-1,3-dithiolen-2-one

Chemical Property of 4,5-DICYANO-1,3-DITHIOL-2-ONE

Chemical Property:

• Vapor Pressure: 0.00762mmHg at 25°C
• Melting Point: 124 °C
• Boiling Point: 268.6 °C at 760 mmHg
• Flash Point: 116.2 °C
• PSA: 121.13000
• Density: 1.7 g/cm³
• LogP: 0.91316

Purity/Quality:

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

4,5-Dicyano-1,3-dithiol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-DICYANO-1,3-DITHIOL-2-ONE

There total 2 articles about 4,5-DICYANO-1,3-DITHIOL-2-ONE 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: 50.0%

bis(trichloromethyl) carbonate (32315-10-9) + disodium cis-1,2-dicyano-1,2-ethylenedithiolate (5466-54-6) → 2-oxo-4,5-dicyano-1,3-dithiacyclopentene (934-31-6)

Guidance literature:

In benzene; at 20 ℃; for 1h;

DOI:10.3987/COM-04-10268

Reference yield:

→ 2-oxo-4,5-dicyano-1,3-dithiacyclopentene (934-31-6)

Guidance literature:

Dinatriumsalz-Verb. v. Dimercaptomaleinsaeure-nitril, Phosgen in Acetonitril;

DOI:10.1021/ja01077a048

Reference yield: 74.0%

[(η5-C60(C6H4nBu)5)Co(CO)2] (1186071-76-0) + 2-oxo-4,5-dicyano-1,3-dithiacyclopentene (934-31-6) → Co[C60(4-n-BuC6H4)5][(S2C2)(CN)2] (1186071-79-3)

Guidance literature:

In xylene; (Ar, Schlenk) a soln. of Co-complex and acetylene-compound in p-xylene was heated at 140°C for 10 h; diluted with toluene, filtered through a pad of silica gel, repptd. withmethanol, silica gel column chromy. (toluene/hexane 2/1), repptd. with methanol; elem. anal.;

DOI:10.1021/ja902312q

upstream raw materials:

bis(trichloromethyl) carbonate

disodium cis-1,2-dicyano-1,2-ethylenedithiolate

Downstream raw materials:

2-(4,5-dicyano-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dicarbonitrile

5-(5-Oxo<1,3>dithiolo<4,5-d>-1,3-dithiol-2-yliden)<1,3>dithiolo<4,5-d>-1,3-dithiol-2-on

2-(5-Oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiole-4,5-dicarbonitrile

C₁₄N₄S₈