Ethyl 5-oxo-1,3-dithiane-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-oxo-1,3-dithiane-4-carboxylate
• CAS No.: 63462-49-7
• Molecular Formula: C7H10O3S2
• Molecular Weight: 206.2825
• NSC Number: 143598
• DSSTox Substance ID: DTXSID60301464

Synonyms:63462-49-7;ethyl 5-oxo-1,3-dithiane-4-carboxylate;NSC143598;SCHEMBL9877944;DTXSID60301464;AKOS005167072;NSC-143598

Chemical Property of Ethyl 5-oxo-1,3-dithiane-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000913mmHg at 25°C
• Boiling Point: 303.7°C at 760 mmHg
• Flash Point: 144.8°C
• Density: 1.322g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 206.00713652
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(=O)CSCS1

Technology Process of Ethyl 5-oxo-1,3-dithiane-4-carboxylate

There total 2 articles about Ethyl 5-oxo-1,3-dithiane-4-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:

methylenebis(ethyl thioglycolate) (61713-23-3) → 4-ethoxycarbonyl-1,3-dithiacyclohexan-5-one (63462-49-7)

Guidance literature:

With tetrahydrofuran; sodium hydride;

Reference yield:

→ 4-ethoxycarbonyl-1,3-dithiacyclohexan-5-one (63462-49-7)

Guidance literature:

3.5-Dithia-pimelinsaeure-diethylester, Na-Ethylat-Lsg. ;

DOI:10.1021/ja01486a037

Reference yield:

4-ethoxycarbonyl-1,3-dithiacyclohexan-5-one (63462-49-7) + guanidinium thiocyanate (593-84-0,5341-59-3) → 6-Amino-m-dithiano<5,4-d>pyrimidinol-(8) (99420-69-6)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

DOI:10.1021/ja01486a037

upstream raw materials:

methylenebis(ethyl thioglycolate)

Downstream raw materials:

6-((Ξ)-4-dimethylamino-trans-cinnamyliden)-5-oxo-[1,3]dithiane-4-carboxylic acid ethyl ester

1,4-bis-((Ξ)-6-ethoxycarbonyl-5-oxo-[1,3]dithian-4-ylidenemethyl)-benzene

6-((Ξ)-benzyliden)-5-oxo-[1,3]dithiane-4-carboxylic acid ethyl ester

2-phenyl-2,7-dihydro-3aH-[1,3]dithiino[5,4-c]pyrazol-3-one

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