1-(p-Chlorophenyl)silatrane

Base Information

• Chemical Name: 1-(p-Chlorophenyl)silatrane
• CAS No.: 29025-67-0
• Molecular Formula: C12H16 Cl N O3 Si
• Molecular Weight: 285.802
• Hs Code.: 2934999090
• European Community (EC) Number: 817-819-1
• NSC Number: 310183
• UNII: 92E5GUJ2UJ
• DSSTox Substance ID: DTXSID1041215
• Nikkaji Number: J20.074C
• Wikipedia: Chlorophenylsilatrane
• Wikidata: Q55249875
• Mol file: 29025-67-0.mol

Synonyms:5-(4-chlorophenyl)silatrane;5-(p-chlorophenyl)silatrane

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Chemical Property of 1-(p-Chlorophenyl)silatrane

Chemical Property:

• Vapor Pressure: 0.000622mmHg at 25°C
• Melting Point: 230-235 °C
• Boiling Point: 309.9°Cat760mmHg
• PKA: 6.66±0.20(Predicted)
• Flash Point: 141.2°C
• PSA: 30.93000
• Density: 1.28g/cm³
• LogP: 0.80280
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 285.0587976
• Heavy Atom Count: 18
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(p-Chlorophenyl)silatrane

There total 4 articles about 1-(p-Chlorophenyl)silatrane 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%

triethanolamine (102-71-6,64114-46-1) + (p-chlorophenyl)triethoxysilane (21700-74-3) → 1-(4-chlorophenyl)silatrane (29025-67-0)

Guidance literature:

In xylene; for 2h; Heating;

DOI:10.1016/0022-328X(85)80362-4

Reference yield:

trichloro(p-chlorophenyl)silane (825-94-5) → 1-(4-chlorophenyl)silatrane (29025-67-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / Heating

2: dicobalt octacarbonyl / CH₂Cl₂ / Ambient temperature

With lithium aluminium tetrahydride; dicobalt octacarbonyl; In diethyl ether; dichloromethane;

DOI:10.1246/cl.1981.243

Reference yield:

triethanolamine (102-71-6,64114-46-1) + (4-chlorophenyl)silane (3724-36-5) → 1-(4-chlorophenyl)silatrane (29025-67-0)

Guidance literature:

dicobalt octacarbonyl; In dichloromethane; Ambient temperature;

DOI:10.1246/cl.1981.243

upstream raw materials:

triethanolamine

(4-chlorophenyl)silane

trichloro(p-chlorophenyl)silane

(p-chlorophenyl)triethoxysilane

Downstream raw materials:

4-chlorophenylmercury chloride

4-chloro-phenol

bromochlorobenzene

Refernces

• 1、 Hosomi, Akira,Iijima, Susumu,Sakurai, Hideki. "CARBON-SILICON BOND CLEAVAGE OF ORGANOTRIALKOXYSILANES AND ORGANOSILATRANES WITH m-CHLOROPERBENZOIC ACID AND N-BROMOSUCCINIMIDE. NEW ROUTE TO PHENOLS, PRIMARY ALCOHOLS AND BROMIDES". . p. 243 - 246. Retrieved 2007/10/02.