1-Ethyl-4-(phenylethynyl)benzene

Base Information

• Chemical Name: 1-Ethyl-4-(phenylethynyl)benzene
• CAS No.: 29778-20-9
• Molecular Formula: C16H14
• Molecular Weight: 206.287
• DSSTox Substance ID: DTXSID40496322
• Nikkaji Number: J2.764.650F
• Wikidata: Q82345093
• Mol file: 29778-20-9.mol

Synonyms:1-Ethyl-4-(phenylethynyl)benzene;29778-20-9;1-ethyl-4-phenylethynyl-benzene;DTXSID40496322

Chemical Property of 1-Ethyl-4-(phenylethynyl)benzene

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 206.109550447
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C#CC2=CC=CC=C2

Technology Process of 1-Ethyl-4-(phenylethynyl)benzene

There total 19 articles about 1-Ethyl-4-(phenylethynyl)benzene 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: 94.0%

4-ethylphenylboronic acid (63139-21-9) + phenylpropyolic acid (637-44-5) → 1-ethyl-4-(phenylethynyl)benzene (29778-20-9)

Guidance literature:

With [2,2]bipyridinyl; sodium carbonate; silver carbonate; nickel dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 18h;

DOI:10.1016/j.tetlet.2016.09.054

Reference yield: 93.3%

4-ethyl-1-iodobenzene (25309-64-2) + phenylacetylene (536-74-3) → 1-ethyl-4-(phenylethynyl)benzene (29778-20-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1039/c5cy01944c

Reference yield: 90.0%

iodobenzene (591-50-4) + 1-ethyl-4-ethynylbenzene (40307-11-7) → 1-ethyl-4-(phenylethynyl)benzene (29778-20-9)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 85 ℃; for 19h; Heating / reflux;

upstream raw materials:

copper(I) phenylacetylenide

4-ethyl-1-iodobenzene

phenylacetylene

iodobenzene

Downstream raw materials:

8-(4-Ethyl-phenyl)-7,9,10-triphenyl-fluoranthene

7,10-Diethyl-8-(4-ethyl-phenyl)-9-phenyl-fluoranthene

8-(4-Ethyl-phenyl)-9-phenyl-7,10-dipropyl-fluoranthene

(E)-1-ethyl-4-styrylbenzene