TERT-BUTYLDIMETHYLSILYLIMIDAZOLE

The IUPAC name of 1-(tert-Butyldimethylsilyl)imidazole is tert-butyl-imidazol-1-yl-dimethylsilane. With the CAS registry number 54925-64-3, it is also named as 1H-Imidazole,1-[(1,1-dimethylethyl)dimethylsilyl]-. The product's categories are Heterocyclic Compounds; Alkyldimethylsilylation (GC Derivatizing Reagents); Analytical Chemistry; GC Derivatizing Reagents; Protection & Derivatization Reagents (for Synthesis); Si (Classes of Silicon Compounds); Silylation (GC Derivatizing Reagents); Silylimidazoles; Si-N Compounds; Synthetic Organic Chemistry. Besides, it is liquid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have well-ventilated or exhaust devices. In addition, its molecular formula is C₉H₁₈N₂Si and molecular weight is 182.34.

The other characteristics of this product can be summarized as: (1)EINECS: 259-398-1; (2)ACD/LogP: 2.35; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.38; (5)ACD/LogD (pH 7.4): 1.93; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 13.52; (8)ACD/KOC (pH 5.5): 4.78; (9)ACD/KOC (pH 7.4): 169.75; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 17.82 Å²; (14)Index of Refraction: 1.471; (15)Molar Refractivity: 57.22 cm³; (16)Molar Volume: 204.5 cm³; (17)Polarizability: 22.68×10^-24cm³; (18)Surface Tension: 23.8 dyne/cm; (19)Density: 0.89 g/cm³; (20)Flash Point: 99.4 °C; (21)Enthalpy of Vaporization: 48.89 kJ/mol; (22)Boiling Point: 251.6 °C at 760 mmHg; (23)Vapour Pressure: 0.0203 mmHg at 25 °C.

Preparation of 1-(tert-Butyldimethylsilyl)imidazole: this chemical can be prepared by the reaction of t-butyldimethylsilyl trichloroacetate with 1H-imidazole.



This reaction needs potassium carbonate, 18-crown-6 at temperature of 120 °C for 3 hours. The yield is 75 %.

Uses of 1-(tert-Butyldimethylsilyl)imidazole: this chemical is used in gas chromatography. Additionally, it can react with 3,3'-Dihydroxy-1,1'-dioxo-biindenyl-(2,2') to get 3,3'-Bis(tert-butyldimethylsiloxy)(2,2'-biinden)-1,1'-dion.



This reaction needs CCl₄ at ambient temperature for 1 hour. The yield is 43 %.

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 harmful by inhalation, in contact with skin and if swallowed. And it irritates to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible). Furthermore, it may cause harm to the unborn child. Please avoid exposure - obtain special instructions before use.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1ccn(c1)[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3
(3)InChIKey: VUENSYJCBOSTCS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3
(5)Std. InChIKey: VUENSYJCBOSTCS-UHFFFAOYSA-N