2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-propanethiol-

Base Information

• Chemical Name: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-propanethiol-
• CAS No.: 29909-46-4
• Molecular Formula: C9H19 N O3 S Si
• Molecular Weight: 249.406
• European Community (EC) Number: 608-429-0
• DSSTox Substance ID: DTXSID10184022
• Nikkaji Number: J3.519.349I
• Wikidata: Q83054894
• Mol file: 29909-46-4.mol

Synonyms:29909-46-4;3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol;2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-propanethiol-;2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanethiol;2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-propanethiol-;3-Mercaptopropylsilatrane;SCHEMBL10780620;DTXSID10184022;AKOS024343465;BS-52743;J3.519.349I;E75251;3-(2,8,9-TRIOXA-5-AZA-1-SILA-BICYCLO(3.3.3)UNDEC-1-YL)-PROPANE-1-THIOL

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

Chemical Property:

• Vapor Pressure: 0.000241mmHg at 25°C
• Boiling Point: 324.7°Cat760mmHg
• Flash Point: 150.2°C
• PSA: 69.73000
• Density: 1.15g/cm³
• LogP: 0.56210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.08549118
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CO[Si]2(OCCN1CCO2)CCCS

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

There total 1 articles about 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-propanethiol- 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: 75.0%

triethanolamine (102-71-6,64114-46-1) + 3-(trimethoxysilyl)-1-propanethiol (4420-74-0) → 1-(γ-mercaptopropyl)silatrane (29909-46-4)

Guidance literature:

With disodium hydrogenphosphate; at 20 ℃; Concentration; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield: 89.0%

1-(2-triphenylstannylthioethyl)silatrane (101538-37-8) + 1-(γ-mercaptopropyl)silatrane (29909-46-4) → silatrane (283-60-3) + sodium chloride

Guidance literature:

With sodium methylate; In methanol; toluene;

Reference yield: 85.0%

1-(γ-mercaptopropyl)silatrane (29909-46-4) + 2-nitrobenzyl chloride (610-14-0) → S-3-(2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecan-1-yl)propyl 2-nitrobenzothioate

Guidance literature:

2-nitrobenzyl chloride; With triethylamine; In chloroform; at 0 ℃; for 0.166667h; Inert atmosphere;

1-(γ-mercaptopropyl)silatrane; In chloroform; for 4h; Inert atmosphere; Reflux;

DOI:10.1039/c6nj00011h

upstream raw materials:

triethanolamine

3-(trimethoxysilyl)-1-propanethiol

Downstream raw materials:

silatrane

Refernces

• 1、 Chen, Wen-Hao,Tseng, Yen-Ta,Hsieh, Shuchen,Liu, Wan-Chun,Hsieh, Chiung-Wen,Wu, Chin-Wei,Huang, Chen-Han,Lin, Hsing-Ying,Chen, Chao-Wen,Lin, Pei-Ying,Chau, Lai-Kwan. "Silanization of solid surfaces via mercaptopropylsilatrane: A new approach of constructing gold colloid monolayers". . p. 46527 - 46535. Retrieved 2014.
• 2、 Singh, Gurjaspreet,Rani, Sunita,Arora, Aanchal,Aulakh, Darpandeep,Wriedt, Mario. "Thioester-appended organosilatranes: Synthetic investigations and application in the modification of magnetic silica surfaces". . p. 6200 - 6213. Retrieved 2016/07/19.