4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile

Base Information

• Chemical Name: 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile
• CAS No.: 62584-59-2
• Molecular Formula: C17H13NO2
• Molecular Weight: 263.296
• DSSTox Substance ID: DTXSID70402517
• Mol file: 62584-59-2.mol

Synonyms:4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile;62584-59-2;DTXSID70402517

Chemical Property of 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 263.094628657
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile

There total 6 articles about 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile 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: 92.0%

1-(4-methoxylphenyl)-2-propen-1-ol (51410-44-7) + 4-cyanophenylboronic acid (126747-14-6) → 1-<4-Methoxy-phenyl>-3-<4-cyan-phenyl>-propen-1-on (62584-59-2)

Guidance literature:

1-(4-methoxylphenyl)-2-propen-1-ol; With oxygen; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 4h; under 760.051 Torr; Green chemistry;

4-cyanophenylboronic acid; With 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 90 ℃; for 18h; Green chemistry;

DOI:10.1039/c4ra07478e

Reference yield: 92.0%

4-cyanobenzaldehyde (105-07-7) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 1-<4-Methoxy-phenyl>-3-<4-cyan-phenyl>-propen-1-on (62584-59-2)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jo402160b

Reference yield: 31.2%

4-cyanobenzaldehyde (105-07-7) + 1-(4-methoxyphenyl)ethanone (100-06-1) → (E)-4-(3-(4-methoxyphenyl)-3-oxoprop-1-enyl)benzonitrile (62584-59-2,126473-62-9)

Guidance literature:

With sodium hydroxide; In methanol; at 28 ℃;

DOI:10.1021/jm0101747

upstream raw materials:

4-cyanobenzaldehyde

1-(4-methoxyphenyl)ethanone

1-(4-methoxylphenyl)-2-propen-1-ol

4-cyanophenylboronic acid

Downstream raw materials:

4-(2-(4-methoxyphenyl)cyclopropyl)benzonitrile

(R)-tert-butyl 2-oxo-5-((S)-1-(4-cyanophenyl)-3-oxo-3-(4-methoxyphenyl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate

ethyl 2-(4-cyanophenyl)-4-(2-methoxyphenyl)-2,3-dihydro-thieno[2',3':5,6]benzo[1,2-b][1,4]thiazepine-9-carboxylate

4-(5-(4-methoxyphenyl)-2-phenylfuran-3-yl)benzonitrile