1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione
• CAS No.: 54945-17-4
• Molecular Formula: C15H11ClO3
• Molecular Weight: 274.704
• DSSTox Substance ID: DTXSID40437619
• Nikkaji Number: J2.969.932A
• Wikidata: Q82253151
• Mol file: 54945-17-4.mol

Synonyms:CTK1F7873;1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione;54945-17-4;DTXSID40437619;1-(4-methoxyphenyl)-2-p-chlorophenyl-ethane-1,2-dione

Chemical Property of 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.0396719
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione

There total 22 articles about 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanedione 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-(4-methoxyphenyl)-2-(4-chlorophenyl)acetylene (39672-21-4) → 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-ethane-1,2-dione (54945-17-4)

Guidance literature:

With 2-chloropyridine-N-oxide; mercuric triflate; In acetonitrile; at 23 ℃; for 3h;

DOI:10.1080/00397911.2021.1946082

Reference yield: 89.0%

4-chloro-4'-methoxy-stilbene (5043-91-4) → 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-ethane-1,2-dione (54945-17-4)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In neat (no solvent); at 20 ℃; for 1h; Schlenk technique;

DOI:10.1002/aoc.5563

Reference yield: 88.0%

2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-(phenylimino)ethanone → 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-ethane-1,2-dione (54945-17-4)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2011.04.020

upstream raw materials:

4-chloro-4'-methoxy-benzoin

2-(4-chlorophenyl)-2-hydroxy-1-(4-methoxyphenyl)ethan-1-one

4-chlorophenylacetic Acid

methoxybenzene

Downstream raw materials:

2-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazine