Hexaphenylcyclotrisiloxane

Base Information

• Chemical Name: Hexaphenylcyclotrisiloxane
• CAS No.: 512-63-0
• Molecular Formula: C36H30O3Si3
• Molecular Weight: 594.889
• Hs Code.: 29349990
• European Community (EC) Number: 208-145-3
• NSC Number: 127080
• DSSTox Substance ID: DTXSID4060151
• Nikkaji Number: J7.418G
• Wikidata: Q72482248
• Mol file: 512-63-0.mol

Synonyms:Hexaphenylcyclotrisiloxane;512-63-0;Cyclotrisiloxane, hexaphenyl-;Diphenylsiloxane cyclic trimer;2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane;EINECS 208-145-3;NSC 127080;Cyclotrisiloxane, 2,2,4,4,6,6-hexaphenyl-;2,2,4,4,6,6-Hexaphenylcyclotrisiloxane;C36H30O3Si3;NSC127080;starbld0016627;SCHEMBL207637;DTXSID4060151;2,2,4,4,6,6-Hexaphenyl-1,3,5,2,4,6-trioxatrisilinane;C36-H30-O3-Si3;MFCD00023110;AKOS015840389;NSC-127080;FT-0627038;H1248;D91020;A828509;2,2,4,4,6,6-Hexaphenyl-[1,3,5,2,4,6]trioxatrisilinan;2,2,4,4,6,6-Hexaphenyl-1,3,5,2,4,6-trioxatrisilinane #

Chemical Property of Hexaphenylcyclotrisiloxane

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 2.02E-13mmHg at 25°C
• Melting Point: 184-188 °C(lit.)
• Refractive Index: 1.651
• Boiling Point: 593.3 °C at 760 mmHg
• Flash Point: 251.5 °C
• PSA: 27.69000
• Density: 1.2 g/cm³
• LogP: 3.81960
• Sensitive.: Moisture Sensitive
• Water Solubility.: Insoluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 594.15027442
• Heavy Atom Count: 42
• Complexity: 651

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,4,4,6,6-Hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Silicon)
• Canonical SMILES: C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
• Uses: 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane is a henylsilsesquioxane with high thermal stability, used as a cross-coupling reagent used in palladium-?catalyzed cross-?coupling reactions with aryl halides.

Technology Process of Hexaphenylcyclotrisiloxane

There total 35 articles about Hexaphenylcyclotrisiloxane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

diphenylsilanediol (947-42-2) → 1,1,3,3,5,5-hexaphenylcyclotrisiloxane (512-63-0)

Guidance literature:

With sulfuric acid; In ethyl acetate; for 96h; Product distribution; other reagents and solvents, var. temp.;

Reference yield: 67.2%

diphenylsilyl dichloride (80-10-4) → octaphenylcyclotetrasiloxane (546-56-5) + 1,1,3,3,5,5-hexaphenylcyclotrisiloxane (512-63-0)

Guidance literature:

With pyridine; sodium hydrogencarbonate; In toluene; at 20 ℃; for 3h;

DOI:10.1080/10426500307895

Reference yield: 23.0%

diethoxydiphenylsilane (2553-19-7,155684-44-9) → octaphenylcyclotetrasiloxane (546-56-5) + 1,1,1,5,5,5-hexamethyl-3,3-diphenyltrisiloxane (797-77-3) + 1,1,3,3,5,5-hexaphenylcyclotrisiloxane (512-63-0)

Guidance literature:

With oxygen; tert-butylammonium hexafluorophosphate(V); In N,N-dimethyl-formamide; at 45 ℃; Electrolysis;

DOI:10.1039/b300620b

upstream raw materials:

piperidine

diethyl ether

1,1,3,3-tetraphenyldisiloxane-1,3-diol

ethanol

Downstream raw materials:

Hexaphenyltrisiloxan-1,5-diol

n-butyldiphenylsilyl alcohol

diphenylmethylsilanol

t-butyl diphenylsilanol

Refernces

• 1、 Zuev, Vjacheslav V.,Kalinin, Alexei V.. "A facile and efficient synthesis of organocyclosiloxanes". . p. 1289 - 1294. Retrieved 2003.
• 2、 Vijjamarri, Srikanth,Hull, Marianne,Kolodka, Edward,Du, Guodong. "Renewable Isohexide-Based, Hydrolytically Degradable Poly(silyl ether)s with High Thermal Stability". . p. 2881 - 2888. Retrieved 2018.
• 3、 Takiguchi et al.. "". . p. 310. Retrieved 1960.
• 4、 Unno, Masafumi,Takada, Keisuke,Kawaguchi, Yasuaki,Matsumoto, Hideyuki. "Supramolecular aggregates of silanols and solid-state synthesis of siloxanes". . p. 259 - 264. Retrieved 2007/10/03.