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1-(Trimethylsilyl)-1-propyne

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Name

1-(Trimethylsilyl)-1-propyne

EINECS 228-314-5
CAS No. 6224-91-5 Density 0.765 g/cm3
PSA 0.00000 LogP 1.88710
Solubility N/A Melting Point - 69 °C
Formula C6H12Si Boiling Point 99-100 °C(lit.)
Molecular Weight 112.247 Flash Point 99.5 °C at 760 mmHg
Transport Information UN 1993 Appearance clear, colorless liquid.
Safety 16-26-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 6224-91-5 (1-(Trimethylsilyl)-1-propyne) Hazard Symbols FlammableF; IrritantXi
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;

Article Data 36

1-(Trimethylsilyl)-1-propyne Synthetic route

74-99-7

prop-1-yne

1066-54-2

trimethylsilylacetylene

6224-91-5

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
(Me2SiCp''2UBu)2O*2THF In tetrahydrofuran at 66℃; for 44h;100%
83268-94-4

C10H26OSi3

A

6224-91-5

trimethyl(prop-1-ynyl)silane

B

993-07-7

trimethylsilan

C

1825-61-2

Methoxytrimethylsilane

D

754-05-2

ethenyltrimethylsilane

Conditions
ConditionsYield
at 650℃; under 0.0001 Torr;A 18%
B n/a
C 87%
D 28%
78012-45-0

[3-(trimethylsilyl)prop-2-yn-1-yl]magnesium bromide

6224-91-5

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether at 0 - 5℃;86%

trimethyl(prop-1-ynyl)silane

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
In various solvent(s) at 100℃; for 3h;81.6%
trimethylsilylacetylene

trimethylsilylacetylene

74-88-4

methyl iodide

trimethyl(prop-1-ynyl)silane

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
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;

A

trimethyl(prop-1-ynyl)silane

trimethyl(prop-1-ynyl)silane

B

trimethylsilan

trimethylsilan

C

D

754-05-2

ethenyltrimethylsilane

Conditions
ConditionsYield
at 590℃; under 0.0001 Torr;A 18%
B n/a
C 72%
D 27%

A

6224-91-5

trimethyl(prop-1-ynyl)silane

B

993-07-7

trimethylsilan

C

1825-61-2

Methoxytrimethylsilane

D

754-05-2

ethenyltrimethylsilane

Conditions
ConditionsYield
at 650℃; under 0.0001 Torr;A 17%
B n/a
C 55%
D 16%
129217-85-2

trimethyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-yn-1-yl)silane

6224-91-5

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
With trifluoroacetic acid In chloroform-d1 at 20℃; for 18h; Inert atmosphere; regioselective reaction;23%
2857-97-8

trimethylsilyl bromide

16466-97-0, 13254-27-8

1-propynylmagnesium bromide

6224-91-5

trimethyl(prop-1-ynyl)silane

75-77-4

chloro-trimethyl-silane

4529-04-8

1-propynyl lithium

6224-91-5

trimethyl(prop-1-ynyl)silane

Conditions
ConditionsYield
In diethyl ether
In diethylene glycol dimethyl ether
In diethyl ether for 30h; Heating; Yield given;

1-(Trimethylsilyl)-1-propyne Specification

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

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