| Identification | Back Directory | [Name]
3-Fluoro-4-methylphenylisothiocyanate | [CAS]
143782-23-4 | [Synonyms]
EZ-S3
D3-EZ-S2
4-Isothiocyanato-2
Enzalutamide Impurity Z
Enzalutamide Impurity 21
Enzalutamide Impurity N7
Enzalutamide intermediate
-Fluoro-4-methylphenylisothiocyanate
4-isothiocyano-2 -(trixenon methyl) benzol
Isothiocyanato-2-(trifluoromethyl)benzonitrile
4-cyano-3-trifluoromenthylphenylisothiocyanate
4-isothiocyanato-2-(trifluoroMethyl)benzonitrile
4-Isothiocvanato-2-(trifluoromethyl)benzonitrile
4-isothiocyano-2 - (trifluoromethyl) benzonitrile
Benzonitrile,4-isothiocyanato-2-(trifluoroMethyl)-
4-isothiocyananto-2-(trifluoromethyl) benzonitrile
4-isothiocyanoyl-2 - (trifluoromethyl) benzonitrile
3. 4-Isothiocyanato-2-(trifluoroMethyl)benzonitrile
4-Cyano-3-(trifluoromethyl)phenylIsothiocyanate,98%
4-isothiolamino-2-(trifluoromethyl)benzene Melonitrile
Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester
4-cyano-3-trifluoromenthylphenylisothiocyaChemicalbooknate
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile,Enzalutamide intermediate
4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE (CAS : 143782-23-4) (intermediate of Enzalutamide)
4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE/4-CYANO-3-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE /CAS NO: 143782-23-4
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzeneQ: What is
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What is the CAS Number of
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What is the storage condition of
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What are the applications of
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C9H3F3N2S | [MDL Number]
MFCD00046799 | [MOL File]
143782-23-4.mol | [Molecular Weight]
228.194 |
| Chemical Properties | Back Directory | [Melting point ]
39.0 to 43.0 °C | [Boiling point ]
331℃ | [density ]
1.31 | [Fp ]
154℃ | [storage temp. ]
Inert atmosphere, 2-8°C | [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 |
| Hazard Information | Back Directory | [Uses]
4-Isothiocyanoyl-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. | [Hazard]
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is harmful when taken orally or in contact with the skin. It is irritating to the eyes and skin, and may cause allergic skin reactions; inhalation may cause respiratory irritation, allergic reactions, asthma symptoms or breathing difficulties. | [Pharmaceutical Applications]
4-isothiocyanato-2-(trifluoroMethyl)benzonitrile participates in the synthesis of a PROTAC degraders of androgen receptor, which lead to a new therapy for AR+, castration-resistant prostate cancer[1]. | [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%). | [References]
[1] Han, X., Wang, C., Qin, C., Xiang, W., Fernandez-Salas, E., Yang, C.-Y., Wang, M., Zhao, L., Xu, T., Chinnaswamy, K., Delproposto, J., Stuckey, J., & Wang, S. (2019). Discovery of ARD-69 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Androgen Receptor (AR) for the Treatment of Prostate Cancer. Journal of Medicinal Chemistry, 62 2, 941–964. https://doi.org/10.1021/acs.jmedchem.8b01631
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