Ethyl (methylsulphinyl)acetate

Base Information

• Chemical Name: Ethyl (methylsulphinyl)acetate
• CAS No.: 4455-14-5
• Molecular Formula: C5H10 O3 S
• Molecular Weight: 150.199
• Hs Code.: 2930909090
• European Community (EC) Number: 224-701-8
• DSSTox Substance ID: DTXSID40963241
• Nikkaji Number: J205.843J
• Mol file: 4455-14-5.mol

Synonyms:4455-14-5;Ethyl (methylsulphinyl)acetate;EINECS 224-701-8;Ethyl (methanesulfinyl)acetate;SCHEMBL9567269;DTXSID40963241;AKOS010555044;(Methylsulfinyl)acetic acid ethyl ester

Chemical Property of Ethyl (methylsulphinyl)acetate

Chemical Property:

• Vapor Pressure: 0.00278mmHg at 25°C
• Boiling Point: 285.6°Cat760mmHg
• Flash Point: 126.5°C
• PSA: 62.58000
• Density: 1.21g/cm³
• LogP: 0.79370
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 150.03506535
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CS(=O)C

Technology Process of Ethyl (methylsulphinyl)acetate

There total 2 articles about Ethyl (methylsulphinyl)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: 82.0%

methylthioacetic acid ethyl ester (4455-13-4) → ethyl 2-(methylsulfinyl)acetate (4455-14-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; for 1h;

DOI:10.1080/10426509708044209

Reference yield:

Lithium dimsyl + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(methylsulfinyl)acetate (4455-14-5)

Guidance literature:

DOI:10.1016/S0040-4039(00)71951-4

Reference yield: 99.0%

ethyl 2-(methylsulfinyl)acetate (4455-14-5) + toluene (108-88-3,15644-74-3,16713-13-6) → ethyl α-methylthio-(p-methylphenyl)acetate (81665-72-7)

Guidance literature:

With tin(IV) chloride; trifluoroacetic anhydride; 0 deg C, 20 min, room temp., 20 min;

DOI:10.1016/S0040-4039(00)61916-0

upstream raw materials:

methylthioacetic acid ethyl ester

chloroacetic acid ethyl ester

Downstream raw materials:

α-Methansulfinyl-hydrozimtsaeure-aethylester

ethyl bis(methylsulfanyl)acetate

ethyl α-methylthio-(p-isobutylphenyl)acetate

ethyl α-methylthio-2,4-dimethylphenylacetate

Refernces

• 1、 Appel, Roland,Mayr, Herbert. "Quantification of the electrophilic reactivities of aldehydes, imines, and enones". supporting information; body text. p. 8240 - 8251. Retrieved 2011/07/29.
• 2、 -. "Cosmetic compositions". . . Retrieved 2008/06/13.