CID 6099907

Base Information

• Chemical Name: CID 6099907
• CAS No.: 17314-33-9
• Molecular Formula: C18H32 S Sn
• Molecular Weight: 399.228
• Mol file: 17314-33-9.mol

Synonyms:

Chemical Property of CID 6099907

Chemical Property:

• Refractive Index: n20/D 1.544(lit.)
• Boiling Point: 147 °C0.3 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 25.30000
• Density: 1.172 g/mL at 25 °C(lit.)
• LogP: 7.12450
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 400.124675
• Heavy Atom Count: 20
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Sn+](CCCC)CCCC.C1=CC=C(C=C1)[S-]

Technology Process of CID 6099907

There total 13 articles about CID 6099907 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: 99.0%

thiophenol (108-98-5) + bis(tri-n-butyltin)oxide (56-35-9) → tributyltin phenyl sulfide (17314-33-9)

Guidance literature:

In toluene; byproducts: H2O; mixt. of (Bu3Sn)2O and PhSH (1:2 molar ratio) refluxed (12 h) in toluenewith removal of H2O (Dean-Stark apparatus); toluene removed (vac.); residue distd. (vac.);

DOI:10.1039/b919383a

Reference yield: 90.0%

tri-n-butyl-tin hydride (688-73-3) + thiophenol (108-98-5) → tributyltin phenyl sulfide (17314-33-9)

Guidance literature:

Wilkinson's catalyst; In tetrahydrofuran; byproducts: hydrogen; 20°C, 30 min under N2; solvent removed under reduced pressure, product vac. distd.;

DOI:10.1016/S0022-328X(00)80142-4

Reference yield: 30.0%

1-cyclohexyl-3-phenyl-1-propyl phenyl sulfide (154777-27-2) → 3-cyclohexyl-1-phenylpropane (170661-44-6) + tributyltin phenyl sulfide (17314-33-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In cyclohexane; for 7h; Heating;

DOI:10.1016/S0040-4020(01)80837-1

upstream raw materials:

(E)-1-phenyl-(2-tributylstannyl)ethene

diphenyldisulfane

allyltributylstanane

1-cyclohexyl-3-phenyl-1-propyl phenyl sulfide

Downstream raw materials:

S-phenyl thioacetate

1-thiophenyl-β-D-galactopyranoside

phenyl-1-thio-α-D-galactopyranoside

S-phenyl 2-methylpropane-2-sulfinothioate

Refernces

• 1、 Strohmann,Abele. "Reductive carbon-sulfur bond cleavage: A simple pathway to nonstabilized (lithiomethyl)amines". . p. 2378 - 2380. Retrieved 2008/10/09.
• 2、 Light, James P.,Ridenour, Michael,Beard, Lois,Hershberger, James W.. "REACTIVITY OF ALLYLIC AND VINYLIC SILANES, GERMANES, STANNANES AND PLUMBANES TOWARD SH2' OR SH2 SUBSTITUTION BY CARBON- OR HETEROATOM-CENTERED FREE RADICALS". . p. 17 - 24. Retrieved 2007/10/02.