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

Base Information

Chemical Name:Benzaldehyde, 2,5-dimethoxy-4-[(2,2,2-trifluoroethyl)thio]-
CAS No.:648957-00-0
Molecular Formula:C₁₁H₁₁F₃O₃S
Molecular Weight:280.268
Hs Code.:
DSSTox Substance ID:DTXSID90476730
Wikidata:Q82308473

Synonyms:648957-00-0;Benzaldehyde, 2,5-dimethoxy-4-[(2,2,2-trifluoroethyl)thio]-;DTXSID90476730

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

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:280.03809987
Heavy Atom Count:18
Complexity:273

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 2 articles about Benzaldehyde, 2,5-dimethoxy-4-[(2,2,2-trifluoroethyl)thio]- 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: 32.0%

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

: 648956-76-7
1,4-Dimethoxy-2-[(2,2,2-trifluoroethyl)thio]benzol

: 648957-00-0
2,5-Dimethoxy-4-[(2,2,2-trifluoroethyl)thio]benzaldehyd

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

With water; for 16h;
DOI:10.1002/hlca.200390210

Reference yield:

: 1483-27-8
2,5-dimethoxythiophenol

: 648957-00-0
2,5-Dimethoxy-4-[(2,2,2-trifluoroethyl)thio]benzaldehyd

Guidance literature:: Multi-step reaction with 2 steps

1.1: 70 percent / KOH / methanol / 1 h / Heating

2.1: POCl₃ / 15 - 60 °C

2.2: 32 percent / H₂O / 16 h

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