1-Methoxy-3-(phenylethynyl)benzene

Base Information

• Chemical Name: 1-Methoxy-3-(phenylethynyl)benzene
• CAS No.: 37696-01-8
• Molecular Formula: C15H12O
• Molecular Weight: 208.26
• DSSTox Substance ID: DTXSID00464729
• Nikkaji Number: J655.623J
• Wikidata: Q82290185
• Mol file: 37696-01-8.mol

Synonyms:37696-01-8;1-methoxy-3-(phenylethynyl)benzene;1-methoxy-3-(2-phenylethynyl)benzene;1-(2-(3-METHOXYPHENYL)ETHYNYL)BENZENE;starbld0034499;m-(phenylethynyl)anisole;SCHEMBL4267103;DTXSID00464729;SDBPYABHYGZEJH-UHFFFAOYSA-N;1-Methoxy-3-phenylethynyl-benzene;1-methoxy-3-(phenylethynyl)-benzene;MFCD01319643;1-methoxy-3-(2-phenyl-ethynyl)-benzene

Chemical Property of 1-Methoxy-3-(phenylethynyl)benzene

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.088815002
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

95% ^*data from raw suppliers

1-Methoxy-3-phenylethynyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C#CC2=CC=CC=C2

Technology Process of 1-Methoxy-3-(phenylethynyl)benzene

There total 58 articles about 1-Methoxy-3-(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: 99.0%

3-methoxy-1-iodobenzene (766-85-8) + phenylpropyolic acid (637-44-5) → 1-methoxy-3-(phenylethynyl)benzene (37696-01-8)

Guidance literature:

With copper(l) iodide; potassium carbonate; triphenylphosphine; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c1ob05969f

Reference yield: 99.0%

3-methoxyphenyl bromide (2398-37-0) + phenylacetylene (536-74-3) → 1-methoxy-3-(phenylethynyl)benzene (37696-01-8)

Guidance literature:

With copper(l) iodide; ethanolamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; water; at 60 ℃; for 26h;

DOI:10.1246/bcsj.78.160

Reference yield: 99.0%

3-methoxy-1-iodobenzene (766-85-8) + phenylacetylene (536-74-3) → 1-methoxy-3-(phenylethynyl)benzene (37696-01-8)

Guidance literature:

With copper(l) iodide; palladium(II) complex; In various solvent(s); at 80 ℃; for 0.25h; Further Variations:; Temperatures; Solvents; Reagents; Product distribution;

DOI:10.1016/j.tetlet.2004.03.194

upstream raw materials:

2-Chloroanisole

lithium phenylacetylide

O-methylresorcine

phenylacetylene

Downstream raw materials:

1-(3-methoxyphenyl)-2-phenylethane-1,2-dione

(Z)-1-(3-methoxyphenyl)-2-phenylethene

(E)-3-methoxystilbene

C₅₇H₄₀O