Uses 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile is a reagent used to synthesize thioimidazolinone compounds and is a potential anti-prostate cancer drug. It is also used as an intermediate of enzalutamide.
Uses 4-Cyano-3-trifluoromethylphenylisothiocyanate is an reagent used in the synthesis of thioxoimidazolidinones as potential anti-prostate cancer agents.
4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Preparation Products And Raw materials
Preparation Products 4-(3-(4-hydroxyphenyl)-4,4-diMethyl-5-oxo-2-thioxoiMidazolidin-1-yl)-2-(trifluoroMethyl)benzonitrile–>Enzalutamide
Preparation Products 4-(3-(4-hydroxyphenyl)-4,4-diMethyl-5-oxo-2-thioxoiMidazolidin-1-yl)-2-(trifluoroMethyl)benzonitrile–>Enzalutamide
Synthesis 4-Amino-2-trifluoromethylbenzonitrile, (2.23 g, 12 mmol) was added portionwise over15 minutes into the well-stirred heterogeneous mixture of thiophosgene (1 ml, 13 mmol) in water (22 ml) at room temperature. Stirring was continued for an additional 1 h. The reaction medium was extracted with chloroform (3 x 15 ml). The combined organic phase was dried over MgSO4 and evaporated to dryness under reduced pressure to yield desired product, 4-isothiocyanato-2-trifluoromethylbenzonitrile, (Ia), as brownish solid and was used as such for the next step (2.72 g, 11.9 mmol, 99%).
Sarm 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile cas no Chemical Properties
Melting point 39.0 to 43.0 °C
Boiling point 331℃
density 1.31
Fp 154℃
solubility Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
form powder to lump
color White to Yellow to Green
Stability: Hygroscopic, Moisture sensitive
InChI InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChIKey TYXKOMAQTWRDCR-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(N=C=S)C=C1C(F)(F)F
CAS DataBase Reference 143782-23-4
Melting point 39.0 to 43.0 °C
Boiling point 331℃
density 1.31
Fp 154℃
solubility Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
form powder to lump
color White to Yellow to Green
Stability: Hygroscopic, Moisture sensitive
InChI InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChIKey TYXKOMAQTWRDCR-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(N=C=S)C=C1C(F)(F)F
CAS DataBase Reference 143782-23-4
More Introduction:https://pubchem.ncbi.nlm.nih.gov/compound/11615540#section=Computed-Properties
