Trimethylsilyl 2-isocyanatobenzoate

Base Information

• Chemical Name: Trimethylsilyl 2-isocyanatobenzoate
• CAS No.: 34314-64-2
• Molecular Formula: C₁₁H₁₃NO₃Si
• Molecular Weight: 235.315
• DSSTox Substance ID: DTXSID601292496
• Mol file: 34314-64-2.mol

Synonyms:Trimethylsilyl 2-isocyanatobenzoate;DTXSID601292496;34314-64-2

Chemical Property of Trimethylsilyl 2-isocyanatobenzoate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.06646981
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[Si](C)(C)OC(=O)C1=CC=CC=C1N=C=O

Technology Process of Trimethylsilyl 2-isocyanatobenzoate

There total 3 articles about Trimethylsilyl 2-isocyanatobenzoate 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:

phthalic anhydride (85-44-9) + trimethylsilylazide (4648-54-8) → trimethylsilyl o-isocyanatobenzoate (34314-64-2) + N-(trimethylsilyl)isatoic anhydride (34314-65-3)

Guidance literature:

In benzene; Heating;

DOI:10.1021/jo00976a015

Reference yield:

N-(trimethylsilyl)isatoic anhydride (34314-65-3) → trimethylsilyl o-isocyanatobenzoate (34314-64-2)

Guidance literature:

at 293 ℃; Equilibrium constant; Thermodynamic data; Rate constant; other temperatures, ΔG, ΔH, ΔS, ΔG(excit.);

Reference yield:

→ trimethylsilyl o-isocyanatobenzoate (34314-64-2)

Guidance literature:

Phtalsaeureanhydrid, Trimethylsilylazid, C6H6/Δ;

DOI:10.1021/jo00976a015

upstream raw materials:

phthalic anhydride

trimethylsilylazide

N-(trimethylsilyl)isatoic anhydride

Refernces