4-Ethylcyano-2-chloroanisole thioether is a multi-substituted aromatic sulfur building block that combines a chloro- and an ethyl-cyano-group on an anisole (methoxy-benzene) core, with the sulfur introduced as a thioether side-chain. The molecule is air- and moisture-stable, freely soluble in common organic solvents (DCM, EtOAc, THF, MeOH), and essentially insoluble in water.
Key physical data:
Density (20 °C): 1.20 g cm⁻³
Refractive index n²⁰/D: 1.59
Boiling point: 185–188 °C / 12 mmHg
Flash point: >110 °C
Typical uses:
Key intermediate for benzothiazine-1,1-dioxide COX-2 inhibitors after oxidation of the thio-ether to sulfone.
Precursor to meta-substituted aryl-sulfonyl heterocycles used in herbicidal ALS-inhibitor programmes.
Ligand scaffold for Pd- or Cu-catalysed C–H activation chemistry exploiting the ortho-directing methoxy group.
Quality specification (custom grade):
Purity (GC): ≥97 %
Water content (KF): ≤0.3 %
Free thiol (as –SH): ≤0.5 %
Residue on ignition: ≤0.1 %
Hazard statement:
Causes skin and eye irritation; harmful if inhaled. Handle in a fume hood with gloves and goggles. SDS available on request.
