1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene

Base Information

• Chemical Name: 1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene
• CAS No.: 22692-80-4
• Molecular Formula: C₁₇H₁₆
• Molecular Weight: 220.314
• European Community (EC) Number: 894-612-2
• DSSTox Substance ID: DTXSID00465094
• Wikidata: Q82290784
• Mol file: 22692-80-4.mol

Synonyms:22692-80-4;1-(4-ETHYLPHENYL)-2-(4-METHYLPHENYL)ACETYLENE;1-ethyl-4-[2-(4-methylphenyl)ethynyl]benzene;1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene;1-Ethyl-4-(p-tolylethynyl)benzene;MFCD04038793;Benzene,1-ethyl-4-[2-(4-methylphenyl)ethynyl]-;1-Ethyl-4-[(p-tolyl)ethynyl]benzene;1-(4-ETHYL-4-[(P-TOLYL)ETHYLNYL]BENZENE;1-Ethyl-4-[2-(4-methylphenyl)-1-ethynyl]benzene;DTXSID00465094;XAA69280;AKOS027327533;AB91823;AS-77018;E1408;1-Ethyl-4-[(4-methylphenyl)ethynyl]-benzene

Chemical Property of 1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 71-74 °C
• Refractive Index: 1.591
• Boiling Point: 340.8 °C at 760 mmHg
• Flash Point: 153.6 °C
• PSA: 0.00000
• Density: 1.02 g/cm³
• LogP: 3.95720
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 220.125200510
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

99.3% ^*data from raw suppliers

1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene ^*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)C

Technology Process of 1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene

There total 6 articles about 1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene 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: 90.0%

1-bromo-4-ethylbenzene (1585-07-5) + 4-n-methylphenylacetylene (766-97-2) → 1-ethyl-4-(p-tolylethynyl)benzene (22692-80-4)

Guidance literature:

With calcomenite; potassium hydroxide; In N,N-dimethyl-formamide; at 90 ℃; for 40h; Inert atmosphere;

DOI:10.1039/d1nj04485k

Reference yield: 81.0%

1-ethyl-4-ethynylbenzene (40307-11-7) + toluene-4-sulfonic acid hydrazide (1576-35-8) → 1-ethyl-4-(p-tolylethynyl)benzene (22692-80-4)

Guidance literature:

With copper(II) acetate hydrate; 1,3-bis-(diphenylphosphino)propane; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.7b00899

Reference yield: 75.0%

para-bromotoluene (106-38-7) + 1-ethyl-4-ethynylbenzene (40307-11-7) → 1-ethyl-4-(p-tolylethynyl)benzene (22692-80-4)

Guidance literature:

With cobalt-2-(hydroxyimino)-1-phenylpropan-1-one; potassium carbonate; ethylene glycol; In N,N-dimethyl-formamide; for 12.5h; Irradiation;

DOI:10.1002/cctc.201701253

upstream raw materials:

4-ethyl-1-iodobenzene

4-n-methylphenylacetylene

p-toluenesulfonyl chloride

1-ethyl-4-ethynylbenzene

Downstream raw materials:

(E)-1-ethyl-4-(4-methylstyryl)benzene

2-hydroxyethyl 4-methylbenzoate