Tributylstannanylium;isocyanate

Base Information

• Chemical Name: Tributylstannanylium;isocyanate
• CAS No.: 681-99-2
• Molecular Formula: C13H27 N O Sn
• Molecular Weight: 332.073
• Hs Code.: 2931900090
• Mol file: 681-99-2.mol

Synonyms:

Chemical Property of Tributylstannanylium;isocyanate

Chemical Property:

• Refractive Index: n20/D 1.489(lit.)
• Boiling Point: 297 °C(lit.)
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 1.203 g/mL at 25 °C(lit.)
• LogP: 4.66800
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 333.111467
• Heavy Atom Count: 16
• Complexity: 99.9

Purity/Quality:

98%Min ^*data from raw suppliers

Tributyltin isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison. Flammable liquid. TWA 0.1 mg(Sn)/m³; STEL 0.2 mg(Sn)/m³ (skin).
• Hazard Codes: T,N
• Statements: 21-25-36/38-48/23/25-50/53-42
• Safety Statements: 35-36/37/39-45-60-61-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Sn+](CCCC)CCCC.C(=[N-])=O

Technology Process of Tributylstannanylium;isocyanate

There total 13 articles about Tributylstannanylium;isocyanate 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: 97.0%

bis(η5-cyclopentadienyl)vanadium isocyanate + tributylstannyl isothiocyanate (5035-65-4) → vanadocene monoisothiocyanate + tributyltin isocyanate (681-99-2)

Guidance literature:

In hexane; Ract. at 20°C for 72 h under Ar.; Vac. distn.;

DOI:10.1016/0022-328X(87)80067-0

Reference yield: 80.5%

amidinothiocarbamide (2114-02-5) + bis(tri-n-butyltin)oxide (56-35-9) → bis(tributylstannyl)carbodiimide (34885-41-1) + tributylstannyl isothiocyanate (5035-65-4) + tributyltin isocyanate (681-99-2)

Guidance literature:

In neat (no solvent); byproducts: water, ammonia; mixt. (molar ratio Sn-compd.:amidinothiourea=3:2) heating to 180-220°C (liberation of ammonia and water), exposition to vac.; fractional distn.;

Reference yield: 68.0%

phenyl carbamate (64-10-8) + bis(tri-n-butyltin)oxide (56-35-9) → tributyltin isocyanate (681-99-2)

Guidance literature:

With 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; byproducts: (Me3Si)2SiO, PhNH2; mixt. of phenylurea, hexamethyldisiloxane and (Bu3Sn)2O in THF heated at 70-120 degree. with the simultaneous distillation of solvent and the by-product for 2 h; identified by elem. anal. and IR spectrum;

upstream raw materials:

tri-n-butyl-tin hydride

allylisocyanate

amidinothiocarbamide

bis(tri-n-butyltin)oxide

Downstream raw materials:

cyclohexyl-acetyl isocyanate

carbonyl diisocyanate

tributyltin chloride

bis(tri-n-butyltin)

Refernces

• 1、 Ratier, Max,Khatmi, Djamel,Duboudin, J. Georges,Minh, Dao The. "HYDROSTANNATION OF METHYL(CARBOXYSULFAMOYL) TRIETHYLAMMONIUM HYDROXIDE INNER SALT : A NEW ROUTE TO TRIBUTYLTIN ISOCYANATE". . p. 1929 - 1938. Retrieved 2007/10/02.