Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]-

Base Information

• Chemical Name: Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]-
• CAS No.: 24785-38-4
• Molecular Formula: C16H14O
• Molecular Weight: 222.287
• DSSTox Substance ID: DTXSID10466911
• Nikkaji Number: J1.845.831D
• Wikidata: Q82293576
• Mol file: 24785-38-4.mol

Synonyms:24785-38-4;Benzene, 1-methoxy-4-[2-(4-methylphenyl)ethynyl]-;Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]-;SCHEMBL10525794;DTXSID10466911;1-METHOXY-4-(P-TOLYLETHYNYL)BENZENE;1-Methoxy-4-[(4-methylphenyl)ethynyl]-benzene;F77986

Chemical Property of Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]-

Chemical Property:

• Melting Point: 125.5-126 °C
• Boiling Point: 351.5±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 3.40340
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC

Technology Process of Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]-

There total 69 articles about Benzene, 1-methoxy-4-[(4-methylphenyl)ethynyl]- 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%

para-iodoanisole (696-62-8) + 4-n-methylphenylacetylene (766-97-2) → 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene (24785-38-4)

Guidance literature:

With copper(l) iodide; diethyl (1,10-phenanthrolin-3-yl)phosphonate; potassium carbonate; In water; at 100 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.mencom.2019.07.005

Reference yield: 98.0%

4-methoxyphenylboronic acid (5720-07-0) + 4-n-methylphenylacetylene (766-97-2) → 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene (24785-38-4)

Guidance literature:

With C₂₆H₂₂N₃OPPdS; potassium acetate; silver(l) oxide; In dichloromethane; at 35 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tet.2014.05.087

Reference yield: 98.0%

3-(4-methoxyphenyl)propynoic acid (2227-57-8) + 4-tolyl iodide (624-31-7) → 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene (24785-38-4)

Guidance literature:

With copper(l) iodide; potassium carbonate; triphenylphosphine; In dimethyl sulfoxide; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2012.06.003

upstream raw materials:

C₁₆H₁₆Br₂O

para-bromotoluene

4-methoxyphenylacetylen

4-methoxy-benzaldehyde

Downstream raw materials:

trans-1-<4-Methoxy-phenyl>-2-<4'-phenyl-stilben-4-yl>-acetylen

trans-1-<4-Methoxy-phenyl>-2-<4-(-2-naphthyl-(1)-aethenyl)-phenyl>-acetylen

trans-1-<4-Methoxy-phenyl>-2-<4-(-2-naphthyl-(2)-aethenyl)-phenyl>-acetylen

C₃₁H₂₄O