4-(TRIETHYLSILYL)-3-BUTYN-1-OL

The 3-Butyn-1-ol,4-(triethylsilyl)- is an organic compound with the formula C₁₀H₂₀OSi. The systematic name of this chemical is 4-(Triethylsilyl)but-3-yn-1-ol. With the CAS registry number 160194-29-6, it is also named as 4-(Triethylsilyl)-3-butyn-1-ol. Besides, its molecular weight is 184.35.

Physical properties about 3-Butyn-1-ol,4-(triethylsilyl)- are: (1)ACD/LogP: 3.67; (2)ACD/LogD (pH 5.5): 3.67; (3)ACD/LogD (pH 7.4): 3.67; (4)ACD/BCF (pH 5.5): 361.22; (5)ACD/BCF (pH 7.4): 361.22; (6)ACD/KOC (pH 5.5): 2357.55; (7)ACD/KOC (pH 7.4): 2357.55; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 56.63 cm³; (14)Molar Volume: 210.1 cm³; (15)Polarizability: 22.45×10^-24 cm³; (16)Surface Tension: 28.1 dyne/cm; (17)Density: 0.877 g/cm³; (18)Flash Point: 89.4 °C; (19)Enthalpy of Vaporization: 53.56 kJ/mol; (20)Boiling Point: 224.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0187 mmHg at 25 °C.

Preparation: this chemical can be prepared by Triethyl-(4-trityloxy-but-1-ynyl)-silane. This reaction is a kind of Substitution//methanolysis. This reaction will need reagents BCl₃; MeOH and solvent CH₂Cl₂. The reaction time is 30 min with reaction temperature of -30 °C. The yield is about 91%.

Uses of 3-Butyn-1-ol,4-(triethylsilyl)-: it can be used to produce 2-(2-Triethylsilanyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethanol at temperature of 100 °C. It will need reagents LiCl; Na₂CO₃; Pd(dppf)Cl₂ and solvent Dimethylformamide. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H20OSi/c1-4-12(5-2,6-3)10-8-7-9-11/h11H,4-7,9H2,1-3H3
(2)InChIKey: WAVVVDUELKMQAZ-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C10H20OSi/c1-4-12(5-2,6-3)10-8-7-9-11/h11H,4-7,9H2,1-3H3
(4)Std. InChIKey: WAVVVDUELKMQAZ-UHFFFAOYSA-N