1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione

Base Information

• Chemical Name: 1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione
• CAS No.: 15982-61-3
• Molecular Formula: C24H22O2
• Molecular Weight: 342.437
• DSSTox Substance ID: DTXSID10537150
• Nikkaji Number: J282.717D
• Mol file: 15982-61-3.mol

Synonyms:15982-61-3;DTXSID10537150;1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione

Chemical Property of 1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 342.161979940
• Heavy Atom Count: 26
• Complexity: 461

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C

Technology Process of 1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione

There total 13 articles about 1,4-Bis(4-methylphenyl)-2-phenylbutane-1,4-dione 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: 79.0%

4-methyl-benzoyl chloride (874-60-2) + 3-phenyl-1-p-tolylprop-2-en-1-one (4224-96-8) → 1,4-di(4-methylphenyl)-2-phenyl-1,4-butandione (15982-61-3)

Guidance literature:

With samarium; In N,N-dimethyl-formamide; at 25 ℃; for 1.5h; Inert atmosphere;

DOI:10.1055/s-0030-1258287

Reference yield: 74.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-methyl-benzoyl chloride (874-60-2) → 1,4-di(4-methylphenyl)-2-phenyl-1,4-butandione (15982-61-3)

Guidance literature:

With neodymium; In N,N-dimethyl acetamide; Irradiation;

DOI:10.1246/cl.2009.16

Reference yield: 53.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + diethyl 2,6-dimethyl-4-(4-methylbenzoyl)-1,4-dihydropyridine-3,5-dicarboxylate → 1,4-di(4-methylphenyl)-2-phenyl-1,4-butandione (15982-61-3)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); In acetonitrile; at -78 ℃; for 48h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.9b04595

upstream raw materials:

(Z)-2,5-Bis-dimethylamino-3-phenyl-2,5-di-p-tolyl-pent-4-enenitrile

carbon monoxide

4-tolyl iodide

phenylacetylene