(METHYLDIPHENYLSILYL)ACETYLENE

The Benzene,1,1'-(ethynylmethylsilylene)bis- is an organic compound with the formula C₁₅H₁₄Si. The systematic name of this chemical is Ethynyl(methyl)diphenylsilane. With the CAS registry number 17156-65-9, it is also named as Ethinyl(methyl)diphenylsilan. The product's categories are Alkynes; Organic Building Blocks; Terminal. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Benzene,1,1'-(ethynylmethylsilylene)bis- are: (1)ACD/LogP: 5.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.66; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11810.36; (6)ACD/BCF (pH 7.4): 11810.36; (7)ACD/KOC (pH 5.5): 28609.8; (8)ACD/KOC (pH 7.4): 28609.8; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 71.91 cm³; (12)Molar Volume: 220.2 cm³; (13)Polarizability: 28.5×10^-24 cm³; (14)Surface Tension: 35.3 dyne/cm; (15)Density: 1 g/cm³; (16)Flash Point: 120.8 °C; (17)Enthalpy of Vaporization: 49.76 kJ/mol; (18)Boiling Point: 279.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00671 mmHg at 25 °C.

Preparation: this chemical can be prepared by Chloro-methyl-diphenyl-silane. This reaction will need reagent EtMgBr and solvent tetrahydrofuran. The reaction time is 36 hours. The yield is about 85%.

Uses of Benzene,1,1'-(ethynylmethylsilylene)bis-: it can be used to produce (E)-1,4-Bis(methyldiphenylsilyl)but-1-en-3-yne. It will need catalyst RhCl(PPh₃)₃ and solvent toluene with reaction time of 30 hours. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H14Si/c1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
(2)InChIKey: XSXNZQAPLNNSCP-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C15H14Si/c1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
(4)Std. InChIKey: XSXNZQAPLNNSCP-UHFFFAOYSA-N