Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester

The IUPAC name of Methanesulfonic acid,1,1,1-trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester is [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate. With the CAS registry number 69739-34-0, it is also named as Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester. The product's categories are Biochemistry; Protection & Derivatization Reagents (for Synthesis); Reagents for Oligosaccharide Synthesis; Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Silyl Esters; Si-O Compounds; Synthetic Organic Chemistry. Besides, it is clear colorless to yellow fuming liquid, which should be stored in sealed containers in a cool, dry place at 2-8 °C away from the water, oxidizing and acidic substances. In addition, its molecular formula is C₇H₁₅F₃O₃SSi and molecular weight is 264.33.

The other characteristics of this product can be summarized as: (1)EINECS: 274-102-0; (2)ACD/LogP: 3.76; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.76; (5)ACD/LogD (pH 7.4): 3.76; (6)ACD/BCF (pH 5.5): 427.21; (7)ACD/BCF (pH 7.4): 427.21; (8)ACD/KOC (pH 5.5): 2658.39; (9)ACD/KOC (pH 7.4): 2658.39; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 51.75 Å²; (14)Index of Refraction: 1.399; (15)Molar Refractivity: 54.13 cm³; (16)Molar Volume: 223.6 cm³; (17)Polarizability: 21.46×10^-24cm³; (18)Surface Tension: 23.2 dyne/cm; (19)Density: 1.181 g/cm³; (20)Flash Point: 73.4 °C; (21)Melting Point: <0 °C; (22)Enthalpy of Vaporization: 40.15 kJ/mol; (23)Boiling Point: 182.4 °C at 760 mmHg; (24)Vapour Pressure: 1.1 mmHg at 25 °C.

Uses of Methanesulfonic acid,1,1,1-trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester: it can react with 1,2-epoxy-cyclopentane to get (2-cyclopenten-1-yloxy)dimethyl(1,1-dimethylethyl)silane.



This reaction needs 1,8-diazabicyclo<5.4.0>undec-7-ene and toluene at temperature of 60 °C for 20 hours. The yield is 58 %.

When you are using this chemical, please be cautious about it as the following: it is flammable that may cause burns. Please keep away from sources of ignition. It is also irritating to respiratory system. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
(2)InChI: InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
(3)InChIKey: WLLIXJBWWFGEHT-UHFFFAOYSA-N