(2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane

Base Information

• Chemical Name: (2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane
• CAS No.: 116078-93-4
• Molecular Formula: C23H39PSi
• Molecular Weight: 374.622
• DSSTox Substance ID: DTXSID60587221
• Nikkaji Number: J795.147G
• Wikidata: Q82479586
• Mol file: 116078-93-4.mol

Synonyms:116078-93-4;DTXSID60587221;(2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane

Chemical Property of (2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 374.25586478
• Heavy Atom Count: 25
• Complexity: 483

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)PC#C[Si](C)(C)C)C(C)(C)C

Technology Process of (2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane

There total 3 articles about (2,4,6-Tri-tert-butylphenyl)[(trimethylsilyl)ethynyl]phosphane 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: 53.0%

lithium trimethylsilylacetylenide (54655-07-1) + (2,4,6-tri-tert-butyl)phenylmonochlorophosphane (86120-24-3) → 2,4,6-tri-t-butylphenyl(trimethylsilylethynyl)phosphine (116078-93-4)

Guidance literature:

Reference yield:

(2,4,6-tri-tert-butylphenyl)phosphine (83115-12-2) → 2,4,6-tri-t-butylphenyl(trimethylsilylethynyl)phosphine (116078-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AIBN, K₂CO₃, CCl₄ / 5.5 h

2: 1.) EtMgBr / 1.) THF, reflux, 10 min, 2.) THF, 0 deg C, 3 h

With tetrachloromethane; 2,2'-azobis(isobutyronitrile); ethylmagnesium bromide; potassium carbonate;

Reference yield:

(2,4,6-tri-tert-butyl)phenylmonochlorophosphane (86120-24-3) + trimethylsilylacetylene (1066-54-2) → 2,4,6-tri-t-butylphenyl(trimethylsilylethynyl)phosphine (116078-93-4)

Guidance literature:

With ethylmagnesium bromide; Yield given. Multistep reaction; 1.) THF, reflux, 10 min, 2.) THF, 0 deg C, 3 h;

upstream raw materials:

lithium trimethylsilylacetylenide

(2,4,6-tri-tert-butyl)phenylmonochlorophosphane

trimethylsilylacetylene

(2,4,6-tri-tert-butylphenyl)phosphine

Downstream raw materials:

[3-(4-Methoxy-phenyl)-3-phenyl-propa-1,2-dienylidene]-(2,4,6-tri-tert-butyl-phenyl)-phosphane

4,4-Diphenyl-1-(2,4,6-tri-t-butylphenyl)-1-phospha-1,2,3-butatriene

C₄₆H₇₀P₂

C₄₁H₆₇ClP₂Si