4-TRIMETHYLSILYL-3-BUTYN-2-OL

The CAS register number of 3-Butyn-2-ol,4-(trimethylsilyl)- is 6999-19-5. It also can be called as 5,5-dimethyl-5-silahex-3-yn-2-ol and the systematic name about this chemical is 4-(trimethylsilyl)but-3-yn-2-ol. The molecular formula about this chemical is C₇H₁₄OSi and the molecular weight is 142.27. It belongs to the following product categories which include Acetylenes; Acetylenic Alcohols & Their Derivatives; Ethynylsilanes; Si (Classes of Silicon Compounds); Si-(C)4 Compounds and so on. This chemical can be produced by 3-(trimethylsilyl) propargyl aldehyde. This chemical can be used as intermediate of steroidal drugs, vitamin E, prostaglandins, leukotrienes, pheromones and so on.

Physical properties about 3-Butyn-2-ol,4-(trimethylsilyl)- are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.36; (5)ACD/BCF (pH 7.4): 30.36; (6)ACD/KOC (pH 5.5): 400.59; (7)ACD/KOC (pH 7.4): 400.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23Ų; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 42.69 cm³; (14)Molar Volume: 161 cm³; (15)Polarizability: 16.92x10^-24cm³; (16)Surface Tension: 25.5 dyne/cm; (17)Enthalpy of Vaporization: 47.35 kJ/mol; (18)Boiling Point: 170.2 °C at 760 mmHg; (19)Vapour Pressure: 0.477 mmHg at 25°C.

Preparation: this chemical can be prepared by but-3-yn-1-ol and chloro-trimethyl-silane. This reaction will need reagent nBuLi and solvent tetrahydrofuran, hexane//tetrahydrofuran, hexane. The reaction time is 1 hour(s)//2 hour(s) with reaction temperature of -78//-78 - 20 ℃. The reaction step is 2. The yield is about 98%.

Uses of 3-Butyn-2-ol,4-(trimethylsilyl)-: it can be used to produce (4-iodo-but-1-ynyl)-trimethyl-silane. This reaction will need reagent I₂, PPh₃, imidazole and solvent diethyl ether, acetonitrile. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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)SMILES: OC(C#C[Si](C)(C)C)C
(2)InChI: InChI=1/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3
(3)InChIKey: HJJSDJHRTMFJLP-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3
(5)Std. InChIKey: HJJSDJHRTMFJLP-UHFFFAOYSA-N