(Methylsulfanyl)acetic anhydride

Base Information

• Chemical Name: (Methylsulfanyl)acetic anhydride
• CAS No.: 63521-90-4
• Molecular Formula: C6H10O3S2
• Molecular Weight: 194.276
• DSSTox Substance ID: DTXSID50545173
• Wikidata: Q82422580
• Mol file: 63521-90-4.mol

Synonyms:63521-90-4;(Methylsulfanyl)acetic anhydride;SCHEMBL10900862;DTXSID50545173

Chemical Property of (Methylsulfanyl)acetic anhydride

Chemical Property:

• PSA: 93.97000
• LogP: 0.78220
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 194.00713652
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC(=O)OC(=O)CSC

Technology Process of (Methylsulfanyl)acetic anhydride

There total 2 articles about (Methylsulfanyl)acetic anhydride 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: 84.0%

methylsulfanyl-acetic acid (2444-37-3) → α-(methylthio)acetic acid anhydride (63521-90-4)

Guidance literature:

With acetic anhydride; for 4h; Heating;

DOI:10.1021/jo991062e

Reference yield:

→ α-(methylthio)acetic acid anhydride (63521-90-4)

Guidance literature:

/BRN= 1779067/;

DOI:10.1021/ja01178a030

Reference yield: 73.0%

(OC-6-43)-amminedichloro(cyclohexanamine)dihydroxyplatinum(IV) (124721-03-5,1313200-52-0,146924-11-0) + α-(methylthio)acetic acid anhydride (63521-90-4) → (OC-6-43)-amminedichloro(cyclohexanamine)bis((methylthio)acetato-O)platinum(IV) (160953-33-3)

Guidance literature:

In diethyl ether; dichloromethane; excess of anhydride, stirring in CH2Cl2/Et2O=4:1 for 24 h; pptn. on Et2O addn. (stirring), collection, drying (vac.); elem. anal.;

upstream raw materials:

methylsulfanyl-acetic acid

Downstream raw materials:

N-(1,4-dioxaspiro<4,5>dec-7-en-8-yl)-N-<2-(3,4-dimethoxyphenyl)ethyl>-α-(methylthio)acetamide

N-Cyclohex-1-enyl-N-methyl-2-methylsulfanyl-acetamide

N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-N-phenyl-α-(methylthio)acetamide

N-<2-(3,4-dimethoxyphenyl)ethyl>-N-(3-oxo-1-cyclohexen-1-yl)-α-(methylthio)acetamide

Refernces

• 1、 Cuiper, Agnes D.,Kouwijzer, Milou L. C. E.,Grootenhuis, Peter D. J.,Kellogg, Richard M.,Feringa, Ben L.. "Kinetic Resolutions and Enantioselective Transformations of 5-(Acyloxy)pyrrolinones Using Candida antarctica Lipase B: Synthetic and Structural Aspects". . p. 9529 - 9537. Retrieved 2007/10/03.