Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate

Base Information

• Chemical Name: Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate
• CAS No.: 66560-19-8
• Molecular Formula: C12H14O3S
• Molecular Weight: 238.307
• DSSTox Substance ID: DTXSID40530997
• Nikkaji Number: J2.989.454J
• Wikidata: Q82402513
• Mol file: 66560-19-8.mol

Synonyms:66560-19-8;Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate;SCHEMBL9008172;DTXSID40530997;VGOCJVGODBWOBW-UHFFFAOYSA-N;AKOS008950145;Ethyl [(2-oxo-2-phenylethyl)thio]acetate

Chemical Property of Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 238.06636548
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSCC(=O)C1=CC=CC=C1

Technology Process of Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate

There total 8 articles about Ethyl [(2-oxo-2-phenylethyl)sulfanyl]acetate 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: 99.0%

ethyl 2-sulfanylacetate (623-51-8) + α-bromoacetophenone (70-11-1) → ethyl 2-((2-oxo-2-phenylethyl)thio)acetate (66560-19-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.202001343

Reference yield: 93.0%

ethanol (64-17-5) + 2-((2-oxo-2-phenylethyl)thio)acetic acid (22536-46-5) → ethyl 2-((2-oxo-2-phenylethyl)thio)acetate (66560-19-8)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1002/anie.201500485

Reference yield: 79.0%

1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) + ethyl 2-sulfanylacetate (623-51-8) → ethyl 2-((2-oxo-2-phenylethyl)thio)acetate (66560-19-8)

Guidance literature:

In aq. phosphate buffer; dimethyl sulfoxide; at 15 ℃; for 2h; pH=7.6;

DOI:10.1021/acs.orglett.0c02477

upstream raw materials:

1-chloroacetophenone

ethyl 2-sulfanylacetate

ethanol

2-((2-oxo-2-phenylethyl)thio)acetic acid

Downstream raw materials:

Mercapto-(5-trimethylsilanyl-furan-2-yl)-acetic acid ethyl ester

ethyl 2-(2-oxo-2-phenylethylsulfonyl)acetate

6-Benzoyl-1-oxo-3,5-diphenyl-1λ⁴-thiomorpholine-2-carboxylic acid ethyl ester