2-TRIMETHYLSILYL-1,3-DITHIANE

The 1,3-Dithiane,2-(trimethylsilyl)- is an organic compound with the formula C₇H₁₆S₂Si. The IUPAC name of this chemical is 1,3-dithian-2-yl(trimethyl)silane. With the CAS registry number 13411-42-2, it is also named as 2-(Trimethylsilyl)-1,3-dithiane. The product's categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Heterocyclic Building Blocks; Others; S-Containing. Besides, it is clear colorless to slightly yellow liquid, which should be stored in a closed cool and well-ventilated place.

Physical properties about 1,3-Dithiane,2-(trimethylsilyl)- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 61.18; (5)ACD/BCF (pH 7.4): 61.18; (6)ACD/KOC (pH 5.5): 661.38; (7)ACD/KOC (pH 7.4): 661.38; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.6 Å²; (10)Index of Refraction: 1.512; (11)Molar Refractivity: 57.17 cm³; (12)Molar Volume: 190.2 cm³; (13)Polarizability: 22.66×10^-24cm³; (14)Surface Tension: 29.5 dyne/cm; (15)Density: 1.01 g/cm³; (16)Flash Point: 96.1 °C; (17)Enthalpy of Vaporization: 47.93 kJ/mol; (18)Boiling Point: 261.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0185 mmHg at 25°C.

Preparation: this chemical can be prepared by [1,3]dithiane and chloro-trimethyl-silane. This reaction will need reagent BuLi and solvent tetrahydrofuran, hexane. The reaction time is 10 min with reaction temperature of 0 °C.

Uses of 1,3-Dithiane,2-(trimethylsilyl)-: it can be used to produce 2-pyrenylidene-1,3-dithiane at ambient temperature. It will need reagent n-butyllithium and solvent tetrahydrofuran, hexane with reaction time of 2 hours. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)SMILES: S1CCCSC1[Si](C)(C)C
(2)InChI: InChI=1/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3
(3)InChIKey: BTTUMVHWIAXYPJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3
(5)Std. InChIKey: BTTUMVHWIAXYPJ-UHFFFAOYSA-N