Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate
• CAS No.: 4905-71-9
• Molecular Formula: C₁₀H₁₆O₅S
• Molecular Weight: 248.3
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30389395
• Mol file: 4905-71-9.mol

Synonyms:4905-71-9;ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate;ethyl 2-(1,1-dioxidotetrahydrothien-3-yl)-3-oxobutanoate;ethyl 2-(1,1-dioxidotetrahydrothiophen-3-yl)-3-oxobutanoate;2-(1,1-Dioxo-tetrahydro-1L6-thiophen-3-yl)-3-oxo-butyric acid ethyl ester;DTXSID30389395;STK821063;AKOS000269974;AKOS016039589;CS-0234633;EN300-14483;Z57162482;ethyl 2-(1,1-dioxo-1|E?-thiolan-3-yl)-3-oxobutanoate;ethyl 2-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-oxobutanoate;ethyl2-(1,1-dioxidotetrahydrothiophen-3-yl)-3-oxobutanoate;3-Thiopheneacetic acid, |A-acetyltetrahydro-, ethyl ester, 1,1-dioxide;2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-oxo-butyric acid ethyl ester

Chemical Property of Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 4.36E-07mmHg at 25°C
• Boiling Point: 414.7°Cat760mmHg
• Flash Point: 204.6°C
• PSA: 85.89000
• Density: 1.257g/cm³
• LogP: 1.27020
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 248.07184478
• Heavy Atom Count: 16
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(1,1-dioxidotetrahydrothiophen-3-yl)-3-oxobutanoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)C

Technology Process of Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate

There total 1 articles about Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate 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:

→ 2-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-3-oxo-butyric acid ethyl ester (4905-71-9)

Guidance literature:

2,3-Dihydro-thiophen-1,1-dioxid (66), Na, Acetessigsaeureethylester in Bzl.;

DOI:10.1021/jo01055a040

Reference yield:

2-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-3-oxo-butyric acid ethyl ester (4905-71-9) + phenylhydrazine (100-63-0) → 4-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one (96651-11-5)

Guidance literature:

With sodium hydrogencarbonate; acetic acid; at 100 ℃; for 1.75h;

DOI:10.1021/jo01055a040

Downstream raw materials:

4-(1,1-dioxo-tetrahydro-1λ⁶-thiophen-3-yl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one