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CAS No.: | 6224-91-5 |
---|---|
Name: | 1-(Trimethylsilyl)-1-propyne |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C6H12Si |
Molecular Weight: | 112.247 |
Synonyms: | Silane,trimethyl-1-propynyl- (6CI,7CI,8CI,9CI);1-(Trimethylsilyl)-1-propyne;1-(Trimethylsilyl)propyne;1-Methyl-2-trimethylsilylacetylene;1-Propynyltrimethylsilane;Methyl(trimethylsilyl)acetylene;Methyl(trimethylsilyl)ethyne;T 3728;Trimethyl(1-propyn-1-yl)silane;Trimethyl-1-propynylsilane; |
EINECS: | 228-314-5 |
Density: | 0.765 g/cm3 |
Melting Point: | - 69 °C |
Boiling Point: | 99-100 °C(lit.) |
Flash Point: | 99.5 °C at 760 mmHg |
Appearance: | clear, colorless liquid. |
Hazard Symbols: | F; Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 16-26-36 |
Transport Information: | UN 1993 |
PSA: | 0.00000 |
LogP: | 1.88710 |
Conditions | Yield |
---|---|
(Me2SiCp''2UBu)2O*2THF In tetrahydrofuran at 66℃; for 44h; | 100% |
C10H26OSi3
A
trimethyl(prop-1-ynyl)silane
B
trimethylsilan
C
Methoxytrimethylsilane
D
ethenyltrimethylsilane
Conditions | Yield |
---|---|
at 650℃; under 0.0001 Torr; | A 18% B n/a C 87% D 28% |
[3-(trimethylsilyl)prop-2-yn-1-yl]magnesium bromide
trimethyl(prop-1-ynyl)silane
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether at 0 - 5℃; | 86% |
Conditions | Yield |
---|---|
In various solvent(s) at 100℃; for 3h; | 81.6% |
methyl iodide
Conditions | Yield |
---|---|
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) at 20℃; for 3h; Inert atmosphere; | 76% |
Stage #1: methyl iodide With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: trimethylsilylacetylene at 20℃; for 4h; Schlenk technique; Inert atmosphere; |
D
ethenyltrimethylsilane
Conditions | Yield |
---|---|
at 590℃; under 0.0001 Torr; | A 18% B n/a C 72% D 27% |
C10H26OSi3
A
trimethyl(prop-1-ynyl)silane
B
trimethylsilan
C
Methoxytrimethylsilane
D
ethenyltrimethylsilane
Conditions | Yield |
---|---|
at 650℃; under 0.0001 Torr; | A 17% B n/a C 55% D 16% |
trimethyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-yn-1-yl)silane
trimethyl(prop-1-ynyl)silane
Conditions | Yield |
---|---|
With trifluoroacetic acid In chloroform-d1 at 20℃; for 18h; Inert atmosphere; regioselective reaction; | 23% |
trimethylsilyl bromide
1-propynylmagnesium bromide
trimethyl(prop-1-ynyl)silane
Conditions | Yield |
---|---|
In diethyl ether | |
In diethylene glycol dimethyl ether | |
In diethyl ether for 30h; Heating; Yield given; |
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The Silane,trimethyl-1-propyn-1-yl-, with the CAS registry number 6224-91-5 and EINECS registry number 228-314-5, has the systematic name of trimethyl(prop-1-yn-1-yl)silane. It is a kind of clear colorless liquid, and belongs to the following product categories: Acetylenes; Diyne Compounds (LB Films); Ethynylsilanes; Functional Materials; Functionalized Acetylenes; LB Films; Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry. The molecular formula of the chemical is C6H12Si. What's more, it should be stored at 0-6°C.
The characteristics of Silane,trimethyl-1-propyn-1-yl- are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.54; (6)ACD/BCF (pH 7.4): 66.54; (7)ACD/KOC (pH 5.5): 702.36; (8)ACD/KOC (pH 7.4): 702.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 36.56 cm3; (15)Molar Volume: 146.6 cm3; (16)Polarizability: 14.49×10-24cm3; (17)Surface Tension: 19.5 dyne/cm; (18)Density: 0.765 g/cm3; (19)Enthalpy of Vaporization: 32.48 kJ/mol; (20)Boiling Point: 99.5 °C at 760 mmHg; (21)Vapour Pressure: 43.9 mmHg at 25°C.
Uses of Silane,trimethyl-1-propyn-1-yl-: It can react with chloro-trimethyl-silane to produce 1-propyne-1,3-diylbis(trimethyl-silane).
You should be cautious while dealing with this chemical. It is a kind of highly flammmable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#C[Si](C)(C)C)C
(2)InChI: InChI=1/C6H12Si/c1-5-6-7(2,3)4/h1-4H3
(3)InChIKey: DCGLONGLPGISNX-UHFFFAOYAK