Silane,trimethyl(trifluoromethyl)- (81290-20-2)

The IUPAC name of (Trifluoromethyl)trimethylsilane is tert-butyl(trifluoromethyl)silicon. With the CAS registry number 81290-20-2, it is also named as Ruppert's Reagent. The product's categories are Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry. Besides, it is clear colorless solution, which should be stored in inert gas in cold, dry, airtight place at 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.04; (6)ACD/BCF (pH 7.4): 15.04; (7)ACD/KOC (pH 5.5): 242.25; (8)ACD/KOC (pH 7.4): 242.25; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Index of Refraction: 1.327; (13)Molar Refractivity: 29.75 cm³; (14)Molar Volume: 146.6 cm³; (15)Surface Tension: 12.1 dyne/cm; (16)Density: 0.969 g/cm³; (17)Flash Point: -16 °C; (18)Enthalpy of Vaporization: 28.07 kJ/mol; (19)Boiling Point: 49.3 °C at 760 mmHg; (20)Vapour Pressure: 314 mmHg at 25 °C.

Preparation of (Trifluoromethyl)trimethylsilane: this chemical can be prepared by Chloro-trimethyl-silane and Bromo-trifluoro-methane.



This reaction needs Tris(N,N-diethylamino)phosphine and Tetrahydrofuran at temperature of -78 °C. The reaction time is 30 min.

Uses of (Trifluoromethyl)trimethylsilane: it can react with Dihydro-furan-2-one to get 2-(Trifluoromethyl)-2-[(trimethylsilyl)oxy]tetrahydrofuran.



This reaction needs Bu₄NF and Tetrahydrofuran at temperature of 0 °C for 1 hour. The yield is 70 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable which should be kept away from sources of ignition. It is also harmful if swallowed. In addition, this chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing and eye / face protection when use it. Furthermore, it may form explosive peroxides. Please do not empty into drains. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)[Si](C)(C)C
(2)InChI:InChI=1/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
(3)InChIKey:MWKJTNBSKNUMFN-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
(5)Std. InChIKey:MWKJTNBSKNUMFN-UHFFFAOYSA-N