Methyl 4-(phenylsulfanyl)butanoate

Base Information

• Chemical Name: Methyl 4-(phenylsulfanyl)butanoate
• CAS No.: 29193-71-3
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• European Community (EC) Number: 821-080-0
• DSSTox Substance ID: DTXSID10507919
• Wikidata: Q82364498
• Mol file: 29193-71-3.mol

Synonyms:methyl-4-(phenylthio)butanoate

Chemical Property of Methyl 4-(phenylsulfanyl)butanoate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCSC1=CC=CC=C1

Technology Process of Methyl 4-(phenylsulfanyl)butanoate

There total 8 articles about Methyl 4-(phenylsulfanyl)butanoate 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: 71.0%

Methyl 4-bromobutyrate (4897-84-1) + thiophenol (108-98-5) → methyl 4-(phenylsulfanyl)butanoate (29193-71-3)

Guidance literature:

With potassium carbonate; In acetone; Heating;

Reference yield: 63.0%

sodium methylate (124-41-4) + 3-oxo-1-phenylthiolanium perchlorate → methyl 4-(phenylsulfanyl)butanoate (29193-71-3)

Guidance literature:

In methanol; for 6h; Heating;

DOI:10.1039/P19810001119

Reference yield: 50.0%

methyl-phenyl-thioether (100-68-5) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 4-(phenylsulfanyl)butanoate (29193-71-3)

Guidance literature:

With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; sodium 2,2,2-trifluoroacetate; In methanol; dichloromethane; at 30 ℃; Reagent/catalyst; Irradiation;

DOI:10.1021/acscatal.0c03851

upstream raw materials:

4-butanolide

methanol

thiophenol

sodium methylate

Downstream raw materials:

Methyl trans-2-phenylthiocyclopropanecarboxylate

2,2-Dimethyl-propionic acid 2-(1-hydroxy-3-phenyl-propyl)-2-phenylsulfanyl-cyclopropylmethyl ester

(E)-2-(hydroxymethyl)cyclopropyl phenyl sulphide

1-Phenylsulfanyl-3-oxa-bicyclo[3.1.0]hexan-2-ol