Acetic acid, bis(phenylthio)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, bis(phenylthio)-, ethyl ester
• CAS No.: 20461-96-5
• Molecular Formula: C16H16O2S2
• Molecular Weight: 304.434
• DSSTox Substance ID: DTXSID00467391
• Nikkaji Number: J433.933I
• Wikidata: Q82294330
• Mol file: 20461-96-5.mol

Synonyms:Acetic acid, bis(phenylthio)-, ethyl ester;20461-96-5;SCHEMBL3035291;DTXSID00467391;Bis-phenylsulfanyl-acetic acid ethyl ester

Chemical Property of Acetic acid, bis(phenylthio)-, ethyl ester

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 304.05917210
• Heavy Atom Count: 20
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(SC1=CC=CC=C1)SC2=CC=CC=C2

Technology Process of Acetic acid, bis(phenylthio)-, ethyl ester

There total 8 articles about Acetic acid, bis(phenylthio)-, ethyl ester 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: 95.0%

phenylthiotrimethylsilane (4551-15-9) + ethyl 2-fluoro-2-(phenylsulfanyl)acetate (106372-59-2) → ethyl α,α-bis(phenylthio)acetate (20461-96-5)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1248/cpb.54.1611

Reference yield: 89.0%

thiophenol (108-98-5) + ethyl 1,1-dichloroacetate (535-15-9) → ethyl α,α-bis(phenylthio)acetate (20461-96-5)

Guidance literature:

With potassium carbonate; Aliquat 336; In toluene; for 8h; Ambient temperature;

Reference yield: 63.0%

ethyl phenylsulfenylacetate (7605-25-6) + thiophenol (108-98-5) → ethyl α,α-bis(phenylthio)acetate (20461-96-5)

Guidance literature:

ethyl phenylsulfenylacetate; With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux;

With sodium hydride; In diethyl ether; mineral oil; at 0 ℃; for 0.166667h;

thiophenol; In diethyl ether; mineral oil; at 0 - 20 ℃;

DOI:10.3762/bjoc.11.12

upstream raw materials:

ethyl α-chloro-α-(phenylthio)acetate

ethyl dibromoacetate

thiophenol

ethyl 1,1-dichloroacetate

Downstream raw materials:

Bisacetic acid

Bis-phenylsulfanyl-acetyl chloride

ethyl 2-fluoro-2-(phenylsulfanyl)acetate

Phenylthiodifluor-N,N-diaethylacetamid