4-(2-Phenylethynyl)phenol

Base Information

• Chemical Name: 4-(2-Phenylethynyl)phenol
• CAS No.: 1849-26-9
• Molecular Formula: C14H10O
• Molecular Weight: 194.233
• DSSTox Substance ID: DTXSID40451693
• Nikkaji Number: J596.020G
• Wikidata: Q82271843
• Mol file: 1849-26-9.mol

Synonyms:4-(2-phenylethynyl)phenol;1849-26-9;Phenol, 4-(phenylethynyl)-;4-(Phenylethynyl)phenol;4-hydroxytolane;SCHEMBL717647;DTXSID40451693;NVUNTCDLAQYNFR-UHFFFAOYSA-N;1-Hydroxy-4-(phenylethynyl)benzene;BAA84926;CS-0353921;EN300-55825;F79162

Chemical Property of 4-(2-Phenylethynyl)phenol

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 194.073164938
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)O

Technology Process of 4-(2-Phenylethynyl)phenol

There total 30 articles about 4-(2-Phenylethynyl)phenol 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: 99.0%

p-Iodophenol (540-38-5) + phenylacetylene (536-74-3) → 4-(2-phenylethynyl)phenol (1849-26-9)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; In toluene; at 50 ℃; for 2h;

DOI:10.1016/j.tetlet.2016.11.076

Reference yield: 90.0%

4-bromo-phenol (106-41-2) + phenylacetylene (536-74-3) → 4-(2-phenylethynyl)phenol (1849-26-9)

Guidance literature:

With copper(l) iodide; potassium carbonate; In ethanol; water; at 90 ℃; for 10h; Green chemistry;

DOI:10.1016/j.apcata.2014.02.002

Reference yield: 85.0%

4-chloro-phenol (106-48-9,82344-39-6) + phenylacetylene (536-74-3) → 4-(2-phenylethynyl)phenol (1849-26-9)

Guidance literature:

With C₃₆H₃₀N₄O₂Pd; potassium carbonate; In isopropyl alcohol; at 82 ℃; Reagent/catalyst;

DOI:10.1016/j.jorganchem.2019.121080

upstream raw materials:

copper(I) phenylacetylenide

p-Iodophenol

lithium di-n-butylcuprate

p-benzoquinone

Downstream raw materials:

1-(4-hydroxyphenyl)-2-phenylethan-1,2-dione

1-Isopropylamino-3-(4-phenylethynyl-phenoxy)-propan-2-ol

4-<<-tert-butyldimethylsiloxy)phenyl>ethynyl>benzene

4-(4-Phenylethynyl-phenylethynyl)-benzoic acid