2-((Phenylthio)methyl)-2,3-dihydrobenzofuran

Base Information

• Chemical Name: 2-((Phenylthio)methyl)-2,3-dihydrobenzofuran
• CAS No.: 74455-32-6
• Molecular Formula: C15H14OS
• Molecular Weight: 242.342
• DSSTox Substance ID: DTXSID10540967
• Nikkaji Number: J1.989.608K
• Mol file: 74455-32-6.mol

Synonyms:74455-32-6;2-((phenylthio)methyl)-2,3-dihydrobenzofuran;DTXSID10540967;2-[(Phenylsulfanyl)methyl]-2,3-dihydro-1-benzofuran

Chemical Property of 2-((Phenylthio)methyl)-2,3-dihydrobenzofuran

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.07653624
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C21)CSC3=CC=CC=C3

Technology Process of 2-((Phenylthio)methyl)-2,3-dihydrobenzofuran

There total 7 articles about 2-((Phenylthio)methyl)-2,3-dihydrobenzofuran 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: 89.0%

4-Phenylsulfanyl-morpholine (4837-31-4) + o-Allylphenol (1745-81-9) → 2-((phenylthio)methyl)-2,3-dihydrobenzofuran (74455-32-6)

Guidance literature:

With trifluorormethanesulfonic acid; In acetonitrile; at -20 ℃;

DOI:10.1039/c39870001280

Reference yield: 87.0%

sodium benzenesulfonate (873-55-2) + o-Allylphenol (1745-81-9) → 2-((phenylthio)methyl)-2,3-dihydrobenzofuran (74455-32-6)

Guidance literature:

With copper(ll) bromide; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1021/acs.orglett.6b00272

Reference yield: 80.0%

1-benzenesulfinyl piperidine (4972-31-0) + o-Allylphenol (1745-81-9) → 2-((phenylthio)methyl)-2,3-dihydrobenzofuran (74455-32-6)

Guidance literature:

1-benzenesulfinyl piperidine; With 4 A molecular sieve; trifluoromethanesulfonic acid anhydride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at -60 ℃; for 0.0833333h;

o-Allylphenol; In dichloromethane; at -60 - 20 ℃; for 2.25h;

DOI:10.3987/COM-03-S(P)45

upstream raw materials:

4-Phenylsulfanyl-morpholine

o-Allylphenol

diphenyldisulfane

benzenesulfenyl chloride

Downstream raw materials:

5-Chloro-2-(dichloro-phenylsulfanyl-methyl)-2,3-dihydro-benzofuran

2-Benzenesulfonylmethyl-2,3-dihydro-benzofuran