Ethyl sulfoacetate

Base Information

• Chemical Name: Ethyl sulfoacetate
• CAS No.: 89124-45-8
• Molecular Formula: C4H8 O5 S
• Molecular Weight: 168.171
• DSSTox Substance ID: DTXSID40480908
• Wikidata: Q82316039
• Mol file: 89124-45-8.mol

Synonyms:ethyl sulfoacetate;89124-45-8;Acetic acid, 2-sulfo-,1-ethyl ester;2-ETHOXY-2-OXOETHANESULFONIC ACID;SULFO-ACETICACIDETHYLESTER;SULFO-ACETIC ACID ETHYL ESTER;SCHEMBL47545;DTXSID40480908;YVPPWLBQPPBIGX-UHFFFAOYSA-N;(ethoxycarbonyl)methanesulfonic acid;AKOS006332086

Chemical Property of Ethyl sulfoacetate

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 168.00924453
• Heavy Atom Count: 10
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

SULPHO-ACETIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CS(=O)(=O)O

Technology Process of Ethyl sulfoacetate

There total 8 articles about Ethyl sulfoacetate 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: 100.0%

chloroacetic acid ethyl ester (105-39-5) → acetic acid ethylester sulfonic acid (89124-45-8)

Guidance literature:

With sodium sulfate; In ethanol; water;

Reference yield: 100.0%

ethanol (64-17-5) + sulfoacetic acid (123-43-3) → acetic acid ethylester sulfonic acid (89124-45-8)

Guidance literature:

Heating;

DOI:10.1016/S0960-894X(98)00011-0

Reference yield:

sulfoacetic acid (123-43-3) → acetic acid ethylester sulfonic acid (89124-45-8)

Guidance literature:

In ethanol;

upstream raw materials:

chloroacetic acid ethyl ester

ethyl bromoacetate

C₇H₁₆O₅SSi

ethanol

Downstream raw materials:

ethyl 2-(chlorosulfonyl)acetate

sulfoacetic acid

Refernces

• 1、 -. "NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION". . . Retrieved 2009/10/31.
• 2、 Lee,Roark,Picard,Sliskovic,Roth,Stanfield,Hamelehle,Bousley,Krause. "Inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT) as hypocholesterolemic agents: Synthesis and structure-activity relationships of novel series of sulfonamides, acylphosphonamides and acylphosphoramidates". . p. 289 - 294. Retrieved 2007/10/03.