S-Acetonyl O-ethyl dithiocarbonate

Base Information

• Chemical Name: S-Acetonyl O-ethyl dithiocarbonate
• CAS No.: 49762-80-3
• Molecular Formula: C6H10O2S2
• Molecular Weight: 178.276
• European Community (EC) Number: 633-367-6
• DSSTox Substance ID: DTXSID20450402
• Nikkaji Number: J992.702F
• Mol file: 49762-80-3.mol

Synonyms:S-Acetonyl O-ethyl dithiocarbonate;49762-80-3;O-Ethyl s-(2-oxopropyl) dithiocarbonate;1-[(ethoxymethanethioyl)sulfanyl]propan-2-one;O-ethyl 2-oxopropylsulfanylmethanethioate;SCHEMBL10021922;DTXSID20450402;1-(Ethoxycarbonothioylthio)acetone;AKOS000365932;CS-0117086

Chemical Property of S-Acetonyl O-ethyl dithiocarbonate

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Boiling Point: 249.642°C at 760 mmHg
• Flash Point: 104.78°C
• PSA: 83.69000
• Density: 1.17 g/mL at 25 °C(lit.)
• LogP: 1.63000
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 178.01222190
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

S-ACETONYL O-ETHYL DITHIOCARBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)SCC(=O)C

Technology Process of S-Acetonyl O-ethyl dithiocarbonate

There total 7 articles about S-Acetonyl O-ethyl dithiocarbonate 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: 96.0%

potassium ethyl xanthogenate (140-89-6) + chloroacetone (78-95-5) → O-ethyl S-2-oxopropyl carbonodithioate (49762-80-3)

Guidance literature:

In acetone; at 20 ℃; for 0.5h;

DOI:10.1016/j.saa.2017.07.019

Reference yield: 91.0%

potassium ethyl xanthogenate (140-89-6) + 1-bromoacetone (598-31-2) → O-ethyl S-2-oxopropyl carbonodithioate (49762-80-3)

Guidance literature:

In acetone; at 20 ℃; for 2h;

DOI:10.1039/c3ra42932f

Reference yield: 90.0%

potassium ethyl xanthogenate (140-89-6) → O-ethyl S-2-oxopropyl carbonodithioate (49762-80-3)

Guidance literature:

In acetone; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol2007633

upstream raw materials:

potassium ethyl xanthogenate

chloroacetone

ethylxanthogenate

1-bromoacetone

Downstream raw materials:

benzaldehyde dimethyl acetal

benzaldehyde

(α-methoxybenzylthio)acetone

1-mercaptopropan-2-one

Refernces

• 1、 Charrier, Nicolas,Gravestock, David,Zard, Samir Z.. "Radical additions of xanthates to vinyl epoxides and related derivatives: A powerful tool for the modular creation of quaternary centers". . p. 6520 - 6523. Retrieved 2006.
• 2、 Abdellaoui, Hassane,Chen, Xingpeng,Xu, Jiaxi. "Efficient Synthesis of N-Benzyloxycarbonyl-2-aminoalkanesulfonyl Chlorides with Functionalized Side Chains". . p. 2250 - 2256. Retrieved 2017/05/05.