Triethyltin benzoate

Base Information

• Chemical Name: Triethyltin benzoate
• CAS No.: 3646-80-8
• Molecular Formula: C13H20O2Sn
• Molecular Weight: 327.011
• UNII: K4YK99E7FO
• DSSTox Substance ID: DTXSID40586979
• Wikidata: Q27281970
• Mol file: 3646-80-8.mol

Synonyms:Triethyltin benzoate;Triethylstannyl benzoate;Stannane, (benzoyloxy)triethyl-;3646-80-8;K4YK99E7FO;Benzoic acid, triethylstannyl ester;UNII-K4YK99E7FO;(Benzoyloxy)(triethyl)stannane;DTXSID40586979;Q27281970

Chemical Property of Triethyltin benzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 328.048532
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[Sn](CC)(CC)OC(=O)C1=CC=CC=C1

Technology Process of Triethyltin benzoate

There total 21 articles about Triethyltin benzoate 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: 18.0%

tetraethyltin (597-64-8) → triethyltin benzoate (3646-80-8)

Guidance literature:

With benzoic acid;

DOI:10.1021/jo01124a009

Reference yield:

tetraethyltin (597-64-8) + dibenzoyl peroxide (94-36-0) → ethane (74-84-0) + ethene (74-85-1) + triethyltin benzoate (3646-80-8) + diethyltin dibenzoate (14275-54-8) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

byproducts: CO2; 75-100°C;

DOI:10.1016/S0040-4020(01)92719-X

Reference yield:

Triethyl-trichlormethyl-zinn (83991-18-8) → (C2H5)3SnOOCH2C6H5 (18629-77-1) + triethyltin benzoate (3646-80-8)

Guidance literature:

Multi-step reaction with 7 steps

2: CH₃COONa / ethanol

3: CH₃OH / methanol

7: O₂ / further solvent(s)

With CH₃COONa; CH₃OH; O₂; In methanol; ethanol;

upstream raw materials:

tert-Butyl peroxybenzoate

triethylstannane

dibenzoyl peroxide

tetraethyltin