Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy-

Base Information

Chemical Name:Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy-
CAS No.:648957-07-7
Molecular Formula:C13H17FO3S
Molecular Weight:272.341
Hs Code.:
DSSTox Substance ID:DTXSID70476733
Wikidata:Q82308480

Synonyms:Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy-;648957-07-7;DTXSID70476733

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Chemical Property of Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:272.08824374
Heavy Atom Count:18
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=C(C=C1C=O)OC)SCCCCF

Technology Process of Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy-

There total 2 articles about Benzaldehyde, 4-[(4-fluorobutyl)thio]-2,5-dimethoxy- 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: 84.0%

: 93-61-8
N-methyl-N-phenylformamide

: 648956-83-6
2-[(4-Fluorobutyl)thio]-1,4-dimethoxybenzol

: 648957-07-7
4-[(4-Fluorobutyl)thio]-2,5-dimethoxybenzaldehyd

Guidance literature:: N-methyl-N-phenylformamide; 2-[(4-Fluorobutyl)thio]-1,4-dimethoxybenzol; With trichlorophosphate; at 15 - 60 ℃;

With water; for 0.5h;
DOI:10.1002/hlca.200390210

Reference yield:

: 1483-27-8
2,5-dimethoxythiophenol

: 648957-07-7
4-[(4-Fluorobutyl)thio]-2,5-dimethoxybenzaldehyd

Guidance literature:: Multi-step reaction with 2 steps

1.1: 92 percent / KOH / methanol / 1 h / Heating

2.1: POCl₃ / 15 - 60 °C

2.2: 84 percent / H₂O / 0.5 h

With potassium hydroxide; trichlorophosphate; In methanol; 2.1: Vilsmeier-formylation;
DOI:10.1002/hlca.200390210