Tributyl(3-(trifluoromethyl)phenyl)stannane

Base Information

• Chemical Name: Tributyl(3-(trifluoromethyl)phenyl)stannane
• CAS No.: 53566-38-4
• Molecular Formula: C19H31F3Sn
• Molecular Weight: 435.16
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20380710
• Mol file: 53566-38-4.mol

Synonyms:53566-38-4;Tributyl(3-(trifluoromethyl)phenyl)stannane;tributyl[3-(trifluoromethyl)phenyl]stannane;Tributyl-[3-(trifluoromethyl)phenyl]stannane;tributyl-(3-trifluoromethyl-phenyl)-stannane;3-(Tributylstannyl)benzotrifluoride;3-Trifluoromethyl(tri-n-butylstannyl)benzene;SCHEMBL1452610;DTXSID20380710;MFCD01934759;AKOS024463403;FT-0766073;tributyl-[3-(trifluoromethyl)phenyl]-stannane

Chemical Property of Tributyl(3-(trifluoromethyl)phenyl)stannane

Chemical Property:

• Vapor Pressure: 1.16E-05mmHg at 25°C
• Refractive Index: ">
• Boiling Point: 380.8°Cat760mmHg
• Flash Point: 184.1°C
• PSA: 0.00000
• Density: g/cm³
• LogP: 6.76150
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 436.139988
• Heavy Atom Count: 23
• Complexity: 293

Purity/Quality:

98%min ^*data from raw suppliers

3-(Tributylstannyl)benzotrifluoride, tech ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F

Technology Process of Tributyl(3-(trifluoromethyl)phenyl)stannane

There total 4 articles about Tributyl(3-(trifluoromethyl)phenyl)stannane 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: 79.0%

meta-trifluoromethylphenyl pivalate (1075754-37-8) + trimethylsilyltributyltin (17955-46-3) → <3-(trifluoromethyl)phenyl>tributyltin (53566-38-4)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; cesium fluoride; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 90 ℃; for 8h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201611720

Reference yield: 71.0%

3-bromo-1-trifluoromethylbenzene (401-78-5) + bis(tri-n-butyltin) (813-19-4) → <3-(trifluoromethyl)phenyl>tributyltin (53566-38-4)

Guidance literature:

With palladium diacetate; tricyclohexylphosphine; In neat (no solvent); at 110 ℃; for 24h; under 760.051 Torr; Sealed tube;

DOI:10.1002/ejoc.201701463

Reference yield:

3-bromo-1-trifluoromethylbenzene (401-78-5) + tributyltin chloride (1461-22-9) → <3-(trifluoromethyl)phenyl>tributyltin (53566-38-4)

Guidance literature:

3-bromo-1-trifluoromethylbenzene; With magnesium; In diethyl ether; at 20 ℃; for 9h; Heating / reflux;

tributyltin chloride; In diethyl ether; at 20 ℃; for 8h; Heating / reflux;

With water; In diethyl ether; at 0 - 5 ℃;

upstream raw materials:

3-bromo-1-trifluoromethylbenzene

tributyltin chloride

3-Trifluoromethylphenol

meta-trifluoromethylphenyl pivalate

Downstream raw materials:

dicarbonylcyclopentadienyl(m-trifluoromethylphenyl)iron

2-(3-trifluoromethylphenyl)pyridine

1-benzyl-5-hydroxy-2-oxo-3-(3-trifluoromethyl-phenyl)-1,2-dihydro-[1,7]naphthyridine-6-carboxylic acid methyl ester

1-(1-(4-chlorophenyl)-2,2-difluorovinyl)-3-(trifluoromethyl)benzene

Refernces

• 1、 Gu, Yiting,Martín, Rúben. "Ni-Catalyzed Stannylation of Aryl Esters via C?O Bond Cleavage". . p. 3187 - 3190. Retrieved 2017/03/17.