Triethoxy[4-(trifluoromethyl)phenyl]silane

Base Information

• Chemical Name: Triethoxy[4-(trifluoromethyl)phenyl]silane
• CAS No.: 188748-63-2
• Molecular Formula: C13H19 F3 O3 Si
• Molecular Weight: 308.373
• European Community (EC) Number: 626-103-6
• DSSTox Substance ID: DTXSID80474482
• Nikkaji Number: J1.632.607K
• Wikidata: Q82304520
• Mol file: 188748-63-2.mol

Synonyms:188748-63-2;Triethoxy[4-(trifluoromethyl)phenyl]silane;Triethoxy-[4-(trifluoromethyl)phenyl]silane;Triethoxy(4-(trifluoromethyl)phenyl)silane;Benzene, 1-(triethoxysilyl)-4-(trifluoromethyl)-;Silane, triethoxy[4-(trifluoromethyl)phenyl]-;SCHEMBL446489;DTXSID80474482;PBTDWUVVCOLMFE-UHFFFAOYSA-N;TRIETHOXY(4-(TRIFLUOROMETHYL)PHENYL)SIL&;Triethoxy[4-(trifluoromethyl)phenyl]silane, 97%;J-012165

Chemical Property of Triethoxy[4-(trifluoromethyl)phenyl]silane

Chemical Property:

• Vapor Pressure: 0.222mmHg at 25°C
• Refractive Index: n20/D 1.436(lit.)
• Boiling Point: 90-91 °C0.2 mm Hg(lit.)
• Flash Point: 230 °F
• PSA: 27.69000
• Density: 1.098 g/mL at 25 °C(lit.)
• LogP: 2.96080
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 308.10555548
• Heavy Atom Count: 20
• Complexity: 262

Purity/Quality:

98% ^*data from raw suppliers

triethoxy(4-(trifluoromethyl)phenyl)silane 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO[Si](C1=CC=C(C=C1)C(F)(F)F)(OCC)OCC

Technology Process of Triethoxy[4-(trifluoromethyl)phenyl]silane

There total 1 articles about Triethoxy[4-(trifluoromethyl)phenyl]silane 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: 75.3%

tetraethoxy orthosilicate (78-10-4) + p-trifluoromethylphenyl bromide (402-43-7) → 4-trifluoromethylphenyltriethoxysilane (188748-63-2)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; for 12h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201412288

Reference yield: 98.0%

3-Chloropyridine (626-60-8) + 4-trifluoromethylphenyltriethoxysilane (188748-63-2) → 3-(4-trifluoromethyl-phenyl)-pyridine (426823-25-8)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; 4,4'-dichlorobenzophenone oxime-derived palladacycle; at 120 ℃; for 0.166667h; under 7500.6 Torr; microwave irradiation;

DOI:10.1002/adsc.200505494

Reference yield: 98.0%

3-Bromopyridine (626-55-1,163928-56-1) + 4-trifluoromethylphenyltriethoxysilane (188748-63-2) → 3-(4-trifluoromethyl-phenyl)-pyridine (426823-25-8)

Guidance literature:

With sodium hydroxide; [PdCl₂(P(3,4-(18-crown-6)-phenyl)2(C₆H₅))2]; at 140 ℃; for 1.5h;

DOI:10.1021/ol061221y

upstream raw materials:

tetraethoxy orthosilicate

p-trifluoromethylphenyl bromide

Downstream raw materials:

4-acetyl-4'-trifluoromethylbiphenyl

3-(4-trifluoromethyl-phenyl)-pyridine

4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile

ethyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

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