1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene

Base Information

• Chemical Name: 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene
• CAS No.: 63221-88-5
• Molecular Formula: C17H16O
• Molecular Weight: 236.313
• Hs Code.: 2909309090
• European Community (EC) Number: 613-182-7
• DSSTox Substance ID: DTXSID20398193
• Nikkaji Number: J881.358B
• Wikidata: Q72489868
• Mol file: 63221-88-5.mol

Synonyms:63221-88-5;1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene;1-(4-ETHYLPHENYL)-2-(4-METHOXYPHENYL)ACETYLENE;1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene;1-Ethyl-4-((4-methoxyphenyl)ethynyl)benzene;1-ETHYL-4-(2-(4-METHOXYPHENYL)ETHYNYL)BENZENE;4-[(4-Ethylphenyl)ethynyl]anisole;Benzene, 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]-;4-Methoxy-4'-ethyltolane;Benzene,1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]-;SCHEMBL4799978;DTXSID20398193;MFCD00807428;AKOS015838601;AB91822;AS-30539;CS-0454402;E0806;FT-0640878;4-(9-HYDROXY-9-XANTHENYL)BENZOICACID

Chemical Property of 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene

Chemical Property:

• Vapor Pressure: 3.76E-05mmHg at 25°C
• Melting Point: 35℃(N)
• Refractive Index: 1.587
• Boiling Point: 363.5 °C at 760 mmHg
• Flash Point: 171 °C
• PSA: 9.23000
• Density: 1.06 g/cm³
• LogP: 3.65740
• Solubility.: soluble in Acetone
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 236.120115130
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene

There total 8 articles about 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]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: 87.7%

4-ethyl-1-iodobenzene (25309-64-2) + 4-methoxyphenylacetylen (768-60-5) → 1-[2-(4-ethylphenyl)ethynyl]-4-methoxybenzene (63221-88-5)

Guidance literature:

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

DOI:10.1039/c5cy01944c

Reference yield: 87.0%

1-bromo-4-methoxy-benzene (104-92-7) + 1-ethyl-4-ethynylbenzene (40307-11-7) → 1-[2-(4-ethylphenyl)ethynyl]-4-methoxybenzene (63221-88-5)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; In water; toluene; at 90 ℃; for 6h;

DOI:10.1002/ijch.201900143

Reference yield: 83.0%

→ 1-[2-(4-ethylphenyl)ethynyl]-4-methoxybenzene (63221-88-5)

Guidance literature:

With copper(l) iodide; 1-(4-methoxyphenyl)-3-(4-bromophenyl)-2-ethynyl-1-one; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Inert atmosphere;

upstream raw materials:

1-ethyl-4-ethynylbenzene

4-methoxyphenylboronic acid

4-ethyl-1-iodobenzene

4-methoxyphenylacetylen

Downstream raw materials:

[(η4-C4(C6H4-4-C2H5)2(C6H4-4-OMe)2)Co(η5-C5H5)]

[(η4-C4(C6H4-4-C2H5)2(C6H4-4-OMe)2)Co(η5-C5H5)]

1-(4-ethylphenyl)-2-(4-methoxyphenyl)ethane-1,2-dione

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