Ethyl 1,3-dithiolane-2-carboxylate

Base Information

• Chemical Name: Ethyl 1,3-dithiolane-2-carboxylate
• CAS No.: 20461-99-8
• Molecular Formula: C6H10O2S2
• Molecular Weight: 178.276
• Hs Code.: 29349990
• European Community (EC) Number: 243-837-9
• UNII: ZP3BM93ES6
• DSSTox Substance ID: DTXSID90174426
• Nikkaji Number: J236.629K
• Wikidata: Q83044508
• Mol file: 20461-99-8.mol

Synonyms:Ethyl 1,3-dithiolane-2-carboxylate;20461-99-8;1,3-Dithiolane-2-carboxylic acid, ethyl ester;2-Carboethoxydithiolane;ZP3BM93ES6;1,3-Dithiolane-2-carboxylic Acid Ethyl Ester;EINECS 243-837-9;ETHYL1,3-DITHIOLANE-2-CARBOXYLATE;MFCD00005411;UNII-ZP3BM93ES6;2-Carboethoxy-1,3-dithiolane;AMY774;SCHEMBL1289995;OMCSHTHLIQOHDD-UHFFFAOYSA-;DTXSID90174426;AKOS015856658;2-ETHOXYCARBONYL-1,3-DITHIOLANE;AS-66589;1,3-Dithiolane-2-carboxylicacid,ethyl ester;CS-0328360;D2105;FT-0625829;D89994;Ethyl 1,3-dithiolane-2-carboxylate, >=98.0%;A814583;J-640167;J-800169

Chemical Property of Ethyl 1,3-dithiolane-2-carboxylate

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 259.4 °C at 760 mmHg
• Flash Point: 119.3 °C
• PSA: 76.90000
• Density: 1.257 g/cm³
• LogP: 1.35560
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 178.01222190
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

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

Ethyl 1,3-Dithiolane-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCOC(=O)C1SCCS1

Technology Process of Ethyl 1,3-dithiolane-2-carboxylate

There total 5 articles about Ethyl 1,3-dithiolane-2-carboxylate 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: 82.0%

ethane-1,2-dithiol (540-63-6) + ethyl 1,1-dichloroacetate (535-15-9) → ethyl 1,3-dithiolane-2-carboxylate (20461-99-8)

Guidance literature:

With potassium carbonate; Aliquat 336; In toluene; for 8h; Ambient temperature;

Reference yield:

ethyl 1,1-dichloroacetate (535-15-9) → ethyl 1,3-dithiolane-2-carboxylate (20461-99-8)

Guidance literature:

With ethanol;

Reference yield:

ethanol (64-17-5) + ethyl 1,1-dichloroacetate (535-15-9) → ethyl 1,3-dithiolane-2-carboxylate (20461-99-8)

Guidance literature:

upstream raw materials:

ethane-1,2-dithiol

ethyl 1,1-dichloroacetate

ethanol

ethane-1,2-dithiol; monopotassium salt

Downstream raw materials:

(3R,7S,8aS)-7-[2-(ethoxycarbonyl)-1,3-dithiolan-2-yl]-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

(3R,7R,8aR)-7-[2-(ethoxycarbonyl)-1,3-dithiolan-2-yl]-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

(3R,7R,8S,8aR)-7-[2-(ethoxycarbonyl)-1,3-dithiolan-2-yl]-8-ethyl-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

ethyl (S,S(S))-2-[1-(4-methylphenylsulfinylamino)-3-methylbutyl]-1,3-dithiolane-2-carboxylate

Refernces