5-(Phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane

Base Information

• Chemical Name: 5-(Phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
• CAS No.: 63071-89-6
• Molecular Formula: C13H19NO3SSi
• Molecular Weight: 297.44500
• DSSTox Substance ID: DTXSID10389590
• Wikidata: Q82185518

Synonyms:63071-89-6;5-(phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane;1-(phenylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane;SCHEMBL11729404;DTXSID10389590;LSJXKFSLWMJTBJ-UHFFFAOYSA-N;2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-;AG-690/13205064;phenyl 2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-ylmethyl sulfide

Chemical Property of 5-(Phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane

Chemical Property:

• PSA: 56.23000
• LogP: 1.99200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 297.08549118
• Heavy Atom Count: 19
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CO[Si]2(OCCN1CCO2)CSC3=CC=CC=C3

Technology Process of 5-(Phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane

There total 2 articles about 5-(Phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane 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:

triethanolamine (102-71-6,64114-46-1) + phenyl(trimethoxysilylmethyl)sulfide (57557-71-8) → phenyl (1-silatranyl)methyl sulfide (63071-89-6)

Guidance literature:

With hydroxide;

Reference yield:

→ phenyl (1-silatranyl)methyl sulfide (63071-89-6)

Guidance literature:

Triethanolamin, entspr. Trimethoxysilan;

Reference yield: 95.0%

phenyl (1-silatranyl)methyl sulfide (63071-89-6) → phenyl (1-silatranyl)methyl sulfoxide

Guidance literature:

With dihydrogen peroxide; In ethanol; chloroform; at 20 ℃; for 1h;

upstream raw materials:

triethanolamine

phenyl(trimethoxysilylmethyl)sulfide

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