2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl-

Base Information

• Chemical Name: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl-
• CAS No.: 85952-93-8
• Molecular Formula: C15H24N2O3Si
• Molecular Weight: 308.453
• DSSTox Substance ID: DTXSID90235283
• Wikidata: Q83117178
• Mol file: 85952-93-8.mol

Synonyms:85952-93-8;2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl-;DTXSID90235283;2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanamine,N-phenyl-

Chemical Property of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl-

Chemical Property:

• Vapor Pressure: 7.06E-08mmHg at 25°C
• Melting Point: 142.1 °C
• Boiling Point: 438.2°Cat760mmHg
• PKA: 6.92±0.20(Predicted)
• Flash Point: 218.8°C
• PSA: 42.96000
• Density: 1.14g/cm³
• LogP: 1.81740
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 308.15561917
• Heavy Atom Count: 21
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CO[Si]2(OCCN1CCO2)CCCNC3=CC=CC=C3

Technology Process of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl-

There total 2 articles about 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamine, N-phenyl- 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: 49.0%

1-(3-chloropropyl)silatrane (51006-57-6) + aniline (62-53-3) → 1-N-phenylaminopropyl silatrane (85952-93-8)

Guidance literature:

With triethylamine; potassium iodide; for 6h; Heating;

DOI:10.1080/10426500008076329

Reference yield:

triethanolamine (102-71-6,64114-46-1) + N-phenyl-N-(3-trimethoxysilylpropyl)amine (3068-76-6) → 1-N-phenylaminopropyl silatrane (85952-93-8)

Guidance literature:

With potassium hydroxide; In toluene; for 5h;

DOI:10.1016/j.ica.2018.04.019

Reference yield: 69.0%

1-N-phenylaminopropyl silatrane (85952-93-8) + propargyl bromide (106-96-7) → C18H26N2O3Si

Guidance literature:

1-N-phenylaminopropyl silatrane; With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 0.5h; Inert atmosphere;

propargyl bromide; In N,N-dimethyl-formamide; at 25 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.ica.2018.04.019

upstream raw materials:

1-(3-chloropropyl)silatrane

aniline

triethanolamine

N-phenyl-N-(3-trimethoxysilylpropyl)amine