1-(4-Methoxyphenyl)-4-phenylbutane-1,4-dione

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-4-phenylbutane-1,4-dione
• CAS No.: 60755-22-8
• Molecular Formula: C17H16O3
• Molecular Weight: 268.312
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00384690
• Nikkaji Number: J404.697H
• Wikidata: Q82177004
• ChEMBL ID: CHEMBL4202465
• Mol file: 60755-22-8.mol

Synonyms:1-(4-methoxyphenyl)-4-phenylbutane-1,4-dione;60755-22-8;1-(4-METHOXY-PHENYL)-4-PHENYL-BUTANE-1,4-DIONE;e-1,4-dione;SCHEMBL4483889;CHEMBL4202465;DTXSID00384690;ZNZJJYOOOWCSFW-UHFFFAOYSA-N;1-(4-methoxy-phenyl)-4-phenyl-butan;AKOS015966006;1-(4-methoxyphenyl)-4-phenyl-1,4-butanedione;1-(4-methoxyphenyl)-4-phenyl-butane-1,4-dione

Chemical Property of 1-(4-Methoxyphenyl)-4-phenylbutane-1,4-dione

Chemical Property:

• PSA: 43.37000
• LogP: 3.54100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

≥99% ^*data from raw suppliers

1-(4-Methoxyphenyl)-4-phenylbutane-1,4-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)-4-phenylbutane-1,4-dione

There total 46 articles about 1-(4-Methoxyphenyl)-4-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: 93.0%

(p-methoxybenzoyl)trifluoroacetonate (415944-56-8) + α-bromoacetophenone (70-11-1) → 1-(4-methoxyphenyl)-4-phenyl-1,4-butanedione (60755-22-8)

Guidance literature:

With potassium carbonate; ethyl acetate; In water; for 8h; Schlenk technique; Heating;

DOI:10.1002/ejoc.201800680

Reference yield: 91.0%

1-bromovinylbenzene (98-81-7) + mercapto-1-(4’-methoxyphenyl)ethanone (139488-44-1) → 1-(4-methoxyphenyl)-4-phenyl-1,4-butanedione (60755-22-8)

Guidance literature:

With oxygen; C₄₂H₃₄F₁₀IrN₄⁽¹⁺⁾*F₆P^(1-); triethylamine; triphenylphosphine; In dichloromethane; at 20 ℃; for 7h; Irradiation;

DOI:10.1021/acs.orglett.1c02208

Reference yield: 87.1%

4-oxo-4-phenylbutanenitrile (5343-98-6) + potassium 4-(methoxy)phenyltrifluoroborate → 1-(4-methoxyphenyl)-4-phenyl-1,4-butanedione (60755-22-8)

Guidance literature:

With [2,2]bipyridinyl; trifluoroacetic acid; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; water; at 70 ℃; for 30h; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

(E)-1-(4-methoxyphenyl)-4-phenylbut-2-ene-1,4- dione

1-(4-methoxyphenyl)prop-2-en-1-one

benzaldehyde

1-styrenyloxytrimethylsilane

Downstream raw materials:

2-(4-methoxyphenyl)-5-phenyl-1H-pyrrole

2-(4-methoxyphenyl)-5-phenylfuran

C₁₉H₁₇NO₃

1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-phenyl-1H-pyrrole