Ethyl Phenylsulfinylacetate

Base Information

• Chemical Name: Ethyl Phenylsulfinylacetate
• CAS No.: 54882-04-1
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50448832
• Nikkaji Number: J515.691B,J3.164.709F
• Mol file: 54882-04-1.mol

Synonyms:54882-04-1;Ethyl Phenylsulfinylacetate;ethyl 2-(phenylsulfinyl)acetate;Phenylsulfinylacetic Acid Ethyl Ester;Ethyl 2-(benzenesulfinyl)acetate;PHENYLSULFINYLACETICACIDETHYLESTER;SCHEMBL4908868;DTXSID50448832;MFCD00191677;AKOS009157537;AM87059;(2-Ethoxy-2-oxoethyl)oxylatophenylsulfonium;CS-0453529;P1135;D92077;A870330

Chemical Property of Ethyl Phenylsulfinylacetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 154 °C / 3mmHg
• Flash Point: 170.917°C
• PSA: 62.58000
• Density: 1.21
• LogP: 2.22300
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98% ^*data from raw suppliers

Ethyl Phenylsulfinylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl Phenylsulfinylacetate

There total 6 articles about Ethyl Phenylsulfinylacetate 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 phenylsulfenylacetate (7605-25-6) → ethyl 2-(phenylsulfinyl)acetate (54882-04-1)

Guidance literature:

With sodium periodate; In methanol; water; for 24h; Ambient temperature;

DOI:10.1246/bcsj.57.729

Reference yield: 83.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + bromomethyl phenyl sulfoxide (31268-20-9) → ethyl 2-(phenylsulfinyl)acetate (54882-04-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In tetrahydrofuran; at 65 ℃; under 760.051 Torr;

DOI:10.1021/jo301778n DOI:10.1021/jo301778n

Reference yield: 43.0%

diazoacetic acid ethyl ester (623-73-4) + (tert-butylsulfinyl)benzene (62076-10-2,4170-71-2) → ethyl 2-(phenylsulfinyl)acetate (54882-04-1)

Guidance literature:

With dirhodium tetraacetate; In dichloromethane; for 1h; Reflux; Inert atmosphere;

DOI:10.1055/s-0029-1217572

upstream raw materials:

ethyl phenylsulfenylacetate

diazoacetic acid ethyl ester

(tert-butylsulfinyl)benzene

ethanol

Downstream raw materials:

2-acetoxy-2-(phenylthio)-acetic acid ethyl ester

5,7-diethyl-3-phenylsulphinyl-1,6-naphthyridin-2(1H)-one

ethyl 2-cyclopentylidene-2-phenylsulfinylacetate

ethyl 2-cyclopentylidene-2-(phenylthio)acetate

Refernces

• 1、 Liu, Shiwen,Chen, Bocheng,Yang, Yi,Yang, Yuhao,Chen, Qianjin,Zeng, Xiaojun,Xu, Bo. "Electrochemical oxidations of thioethers: Modulation of oxidation potential using a hydrogen bonding network". . . Retrieved 2019/11/28.
• 2、 -. "PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PDE9 INHIBITORS". Page/Page column 35. . Retrieved 2014/02/16.