Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]-

Base Information

• Chemical Name: Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]-
• CAS No.: 839686-54-3
• Molecular Formula: C20H24OSi
• Molecular Weight: 308.495
• DSSTox Substance ID: DTXSID80435452
• Nikkaji Number: J1.962.276B
• Wikidata: Q82250400
• Mol file: 839686-54-3.mol

Synonyms:839686-54-3;Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]-;DTXSID80435452;[4-(Phenylethynyl)phenoxy]tert-butyldimethylsilane

Chemical Property of Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 308.159641919
• Heavy Atom Count: 22
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C#CC2=CC=CC=C2

Technology Process of Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]-

There total 5 articles about Silane, (1,1-dimethylethyl)dimethyl[4-(phenylethynyl)phenoxy]- 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: 67.0%

4-(2-phenylethynyl)phenol (1849-26-9) + tert-butyldimethylsilyl chloride (18162-48-6) → 4-<<-tert-butyldimethylsiloxy)phenyl>ethynyl>benzene (839686-54-3)

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 10.5h;

DOI:10.1021/ma050566d

Reference yield: 48.0%

iodobenzene (591-50-4) + [{4-(1,1-dimethylethyl)dimethylsiloxyphenyl}ethynyl]trimethylsilane (200625-51-0) → 4-<<-tert-butyldimethylsiloxy)phenyl>ethynyl>benzene (839686-54-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(l) chloride; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.1016/j.tetlet.2009.05.112

Reference yield:

bromobenzene (108-86-1,52753-63-6) + [{4-(1,1-dimethylethyl)dimethylsiloxyphenyl}ethynyl]trimethylsilane (200625-51-0) → 4-<<-tert-butyldimethylsiloxy)phenyl>ethynyl>benzene (839686-54-3)

Guidance literature:

With copper(l) chloride; palladium dichloride; P(p-C₆H₄F)3; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2012.03.093

upstream raw materials:

4-(2-phenylethynyl)phenol

tert-butyldimethylsilyl chloride

p-Iodophenol

phenylacetylene

Downstream raw materials:

4-(2-phenylethynyl)phenol

4-(4-Phenylethynyl-phenylethynyl)-benzoic acid 2,4,5-trichloro-phenyl ester

methyl 4-<<4'-(phenylethynyl)phenyl>ethynyl>benzoate

4-(2-phenylethynyl)phenyl trifluoromethanesulfonate