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| CAS No.: | 17869-76-0 |
|---|---|
| Name: | 2-TRIMETHYLSILYLOXY-3-BUTYNE |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C7H14OSi |
| Molecular Weight: | 142.273 |
| Synonyms: | Silane,trimethyl[(1-methyl-2-propynyl)oxy]- (8CI,9CI);(But-3-yn-2-yloxy)trimethylsilane;3-(Trimethylsiloxy)-1-butyne;3-Trimethylsilyloxy-1-butyne;Trimethyl(1-methyl-2-propynyloxy)silane;[1-(Trimethylsiloxy)ethyl]acetylene; |
| Density: | 0.835 g/cm3 |
| Melting Point: | 127-131 °C(lit.) |
| Boiling Point: | 114.5 °C at 760 mmHg |
| Flash Point: | 9.8 °C |
| Appearance: | clear pale yellow liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26 |
| Transport Information: | UN 1993 |
| PSA: | 9.23000 |
| LogP: | 1.85960 |
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Specification
This chemical is called Silane, trimethyl[(1-methyl-2-propyn-1-yl)oxy]-, and it can also be named as Trimethyl((1-methyl-2-propynyl)oxy)silane. With the molecular formula of C7H14OSi, its molecular weight is 142.27. The CAS registry number of this chemical is 17869-76-0.
Other characteristics of the Silane, trimethyl[(1-methyl-2-propyn-1-yl)oxy]- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.87; (6)ACD/BCF (pH 7.4): 35.87; (7)ACD/KOC (pH 5.5): 451.31; (8)ACD/KOC (pH 7.4): 451.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 42.72 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 16.93×10-24cm3; (17)Surface Tension: 21.2 dyne/cm; (18)Density: 0.835 g/cm3; (19)Flash Point: 9.8 °C; (20)Enthalpy of Vaporization: 33.83 kJ/mol; (21)Boiling Point: 114.5 °C at 760 mmHg; (22)Vapour Pressure: 23.5 mmHg at 25°C.
Production method of this chemical: The Silane, trimethyl[(1-methyl-2-propyn-1-yl)oxy]- could be obtained by the reactants of but-3-yn-2-ol and 1,1,1,3,3,3-hexamethyl-disilazane. This reaction needs the catalyst of N,N'-dinitroethylenediamine. The yield is 88 %. In addition, this reaction should be taken for 1.5 hours at the temperature of 70 °C.
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Uses of this chemical: The Silane, trimethyl[(1-methyl-2-propyn-1-yl)oxy]- could react with 2-bromomethyl-acrylic acid tert-butyl ester, and obtain the 2-methylene-4-(1-trimethylsilanyloxy-ethyl)-pent-4-enoic acid tert-butyl ester. This reaction needs the reagent of Zn, and the solvent of tetrahydrofuran. The yield is 54 %. In addition, this reaction should be taken at the temperature of 45-50 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: C#CC(O[Si](C)(C)C)C
2.InChI: InChI=1/C7H14OSi/c1-6-7(2)8-9(3,4)5/h1,7H,2-5H3
3.InChIKey: RMKACVRKUKSWNQ-UHFFFAOYAP