Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate

Base Information

Chemical Name:Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate
CAS No.:84851-57-0
Molecular Formula:C16H16O2S
Molecular Weight:272.368
Hs Code.:
DSSTox Substance ID:DTXSID00511388

Synonyms:84851-57-0;Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate;DTXSID00511388

Suppliers and Price of Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:272.08710092
Heavy Atom Count:19
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=C2

Technology Process of Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate

There total 4 articles about Methyl 4-[1-(phenylsulfanyl)ethyl]benzoate 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: 92.0%

: 84851-56-9
methyl 4-(1-hydroxy ethyl)benzoate

: 108-98-5
thiophenol

: 84851-57-0
methyl α-methyl-p-<(phenylthio)methyl>benzoate

Guidance literature:: With zinc(II) iodide; In 1,2-dichloro-ethane; for 0.75h; Heating;
DOI:10.1021/jo00156a043

Reference yield:

: 6232-88-8
4-bromomethylbenzoic Acid

: 84851-57-0
methyl α-methyl-p-<(phenylthio)methyl>benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / 10percent Na₂CO₃ / 3 h

2: 80 percent / concd H₂SO₄ / methanol / 24 h / Heating

3: 1.) NaH / 1.) DMF, 0 deg C, 20 min, 2.) DMF, RT, 30 min

With sulfuric acid; sodium hydride; sodium carbonate; In methanol;
DOI:10.1021/jm00369a024

Reference yield:

: 108-98-5
thiophenol

: 84851-57-0
methyl α-methyl-p-<(phenylthio)methyl>benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / 10percent Na₂CO₃ / 3 h

2: 80 percent / concd H₂SO₄ / methanol / 24 h / Heating

3: 1.) NaH / 1.) DMF, 0 deg C, 20 min, 2.) DMF, RT, 30 min

With sulfuric acid; sodium hydride; sodium carbonate; In methanol;
DOI:10.1021/jm00369a024