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Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl-

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Name

Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl-

EINECS 208-900-7
CAS No. 546-45-2 Density 1.102 g/mL at 20 °C(lit.)
PSA 27.69000 LogP 2.98740
Solubility N/A Melting Point 100°C
Formula C21H24O3Si3 Boiling Point 402.3 °C at 760 mmHg
Molecular Weight 408.676 Flash Point 163.2 °C
Transport Information N/A Appearance N/A
Safety 24/25-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 546-45-2 (1,3,5-TRIMETHYL-1,3,5-TRIPHENYLCYCLOTRISILOXANE) Hazard Symbols N/A
Synonyms

LS 8490;Phenylmethylsiloxane cyclic trimer;Trimethyltriphenylcyclotrisiloxane;

Article Data 15

Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl- Synthetic route

149-74-6

dichloromethylphenylsilane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

77-63-4

2,4,6,8-tetraphenyl-2,4,6,8-tetramethylcyclotetrasiloxane

Conditions
ConditionsYield
With pyridine; sodium hydrogencarbonate In acetone at 20℃; for 3h;A 33%
B 65.5%
With tetrahydrofuran; lithium at 35 - 45℃; Product distribution; Mechanism;
With tetrahydrofuran; lithium at 35 - 45℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
149-74-6

dichloromethylphenylsilane

A

34239-75-3

2.4.6.8.10-Pentamethyl-2.4.6.8.10-pentaphenyl-cyclopentasiloxan

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

C

77-63-4

2,4,6,8-tetraphenyl-2,4,6,8-tetramethylcyclotetrasiloxane

D

15331-54-1

cis-trans-cis-2,4,6,8-tetraphenyl-2,4,6,8-tetramethylcyclotetrasiloxane

Conditions
ConditionsYield
With water In tetrahydrofuran for 10h; Heating;A n/a
B n/a
C n/a
D 11%
149-74-6

dichloromethylphenylsilane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

Conditions
ConditionsYield
(i) (hydrolysis), (ii) H2SO4, toluene; Multistep reaction;
766-08-5

methylphenylsilane

A

6689-22-1

bis(phenyl methyl hydrido)disiloxane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

D

142684-18-2

C14H18O2Si2

Conditions
ConditionsYield
With water for 2h; Ambient temperature; Further byproducts given;A 19 % Chromat.
B 32 % Chromat.
C 2.3 % Chromat.
D 17 % Chromat.

C11H18O2Si

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

77-63-4

2,4,6,8-tetraphenyl-2,4,6,8-tetramethylcyclotetrasiloxane

C

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In nonane at 160℃; Rate constant; Kinetics; Thermodynamic data; ΔE(excit.);
70996-44-0

(2-phenylpropan-2-ylperoxy)methyl(phenyl)silane

A

617-94-7

1-methyl-1-phenylethyl alcohol

B

6689-22-1

bis(phenyl methyl hydrido)disiloxane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

D

4543-12-8

poly(methylphenylsiloxane)

Conditions
ConditionsYield
In nonane at 160℃; Rate constant; Kinetics; Thermodynamic data; ΔE(excit.);
149-74-6

dichloromethylphenylsilane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

3424-57-5

cis-1,3,5-trimethyl-1,3,5-triphenylcyclorisiloxane

C

77-63-4

2,4,6,8-tetraphenyl-2,4,6,8-tetramethylcyclotetrasiloxane

Conditions
ConditionsYield
With H2O In diethyl ether; water addn. of H2O to a soln. of (CH3)(C6H5)SiCl2 in ether;;
149-74-6

dichloromethylphenylsilane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

3424-57-5

cis-1,3,5-trimethyl-1,3,5-triphenylcyclorisiloxane

Conditions
ConditionsYield
With H2O In water pouring (CH3)(C6H5)SiCl2 into icewater under vigorous stirring;; distn. at 2 torr; recrystn. from alc.;;
4472-41-7

d7-N,N-dimethylformamide

766-08-5

methylphenylsilane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

150730-19-1

trimethylamine-d7

Conditions
ConditionsYield
With Pt(0) nanoparticles immobilized on a monolithic polymeric support at 20℃; Catalytic behavior;
766-08-5

methylphenylsilane

25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

546-45-2

1,3,5-triphenyl-1,3,5-trimethylcyclotrisiloxane

B

C13H21BO3Si

Conditions
ConditionsYield
With basolite C300; water In acetonitrile at 70℃; for 7h; Inert atmosphere;

Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl- Specification

The Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl-, with the CAS registry number 546-45-2, is also known as cis-2,4,6-Trimethyl-2,4,6-triphenylcyclotrisiloxane. Its EINECS registry number is 208-900-7. This chemical's molecular formula is C21H24O3Si3 and molecular weight is 408.66996. Its IUPAC name is called 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane.

Physical properties of Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl-: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 3; (3)Index of Refraction: 1.568; (4)Molar Refractivity: 119.51 cm3; (5)Molar Volume: 365 cm3; (6)Surface Tension: 34.2 dyne/cm; (7)Density: 1.11 g/cm3; (8)Flash Point: 163.2 °C; (9)Enthalpy of Vaporization: 62.8 kJ/mol; (10)Boiling Point: 402.3 °C at 760 mmHg; (11)Vapour Pressure: 2.58E-06 mmHg at 25°C.

Uses of Cyclotrisiloxane,2,4,6-trimethyl-2,4,6-triphenyl-: it can be used to produce 1-biphenyl-4-yl-ethanone at temperature of 60 °C. This reaction will need reagent Ag2O and solvent tetrahydrofuran with reaction time of hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. You should avoid contacting it with skin and eyes. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si]1(O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C21H24O3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3
(3)InChIKey: HAURRGANAANPSQ-UHFFFAOYSA-N

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