3,5-Bis(trifluoromethyl)phenyl isothiocyanate

CAS: 23165-29-9

Ref. 3D-FB33772

Product Information

• Name: 3,5-Bis(trifluoromethyl)phenyl isothiocyanate
• Synonyms: 1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-Di(Trifluoromethyl)Phenyl Isothiocyanate, Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-, 3,5-Bis(trifuoromethyl)phenyl isothiocyanate
• CAS: 23165-29-9

Description

3,5-Bis(trifluoromethyl)phenyl isothiocyanate (3,5-BTPIC) is a photoelectron and organocatalyst that has been used in the synthesis of amines. 3,5-BTPIC can be synthesized from phenyl isothiocyanate, azides and thiourea. The reaction proceeds with stereoselectivity and high yield. The terminal nitrogen atom of 3,5-BTPIC reacts with amines at the rate of 1 mole per mole of amine to produce an imine adduct. This reaction occurs with a nucleophilic substitution mechanism and is selective for secondary amines over primary or tertiary amines.

• Brand: Biosynth

Chemical properties

• Molecular weight: 271.18 g/mol
• Formula: C₉H₃F₆NS
• Purity: Min. 95%
• Color/Form: Clear Liquid
• InChI: InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
• InChI key: InChIKey=FXOSSGVJGGNASE-UHFFFAOYSA-N
• SMILES: FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1