2-(4-Fluorophenyl)methyl-1,3-dithiane

Base Information

Chemical Name:2-(4-Fluorophenyl)methyl-1,3-dithiane
CAS No.:140377-42-0
Molecular Formula:C11H13FS2
Molecular Weight:228.355
Hs Code.:
DSSTox Substance ID:DTXSID60599980
Wikidata:Q82495944

Synonyms:140377-42-0;2-(4-fluorophenyl)methyl-1,3-dithiane;SCHEMBL9448352;DTXSID60599980;YEQKOMNALWGRAQ-UHFFFAOYSA-N;2-[(4-Fluorophenyl)methyl]-1,3-dithiane

Suppliers and Price of 2-(4-Fluorophenyl)methyl-1,3-dithiane

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-(4-Fluorophenyl)methyl-1,3-dithiane

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:228.04427092
Heavy Atom Count:14
Complexity:161

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC(SC1)CC2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorophenyl)methyl-1,3-dithiane

There total 2 articles about 2-(4-Fluorophenyl)methyl-1,3-dithiane 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: 94.0%

: 140377-42-0
2-(4-fluorophenyl)methyl-1,3-dithiane

Guidance literature:

Reference yield: 73.0%

: 505-23-7
1,3 dithiane

: 459-46-1
4-Fluorobenzyl bromide

: 140377-42-0
2-(4-fluorophenyl)methyl-1,3-dithiane

Guidance literature:: 1,3 dithiane; With n-butyllithium; In tetrahydrofuran; hexane; for 1.33333h; Inert atmosphere; Glovebox; Cooling with acetone-dry ice;

4-Fluorobenzyl bromide; In tetrahydrofuran; hexane; at 0 - 20 ℃; Inert atmosphere; Glovebox;
DOI:10.1021/acs.joc.5b00547

Reference yield:

: 626-55-1,163928-56-1
3-Bromopyridine

: 140377-42-0
2-(4-fluorophenyl)methyl-1,3-dithiane

: 3-((3-((4-fluorostyryl)thio)propyl)thio)pyridine

: 3-((3-((4-fluorostyryl)thio)propyl)thio)pyridine

Guidance literature:: With potassium tert-butylate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 80 ℃; for 24h; Overall yield = 83 %; Overall yield = 0.254 g; stereoselective reaction; Inert atmosphere; Glovebox;
DOI:10.1021/acs.joc.5b00547