1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one
• CAS No.: 30313-22-5
• Molecular Formula: C₁₈H₁₆O
• Molecular Weight: 248.324
• Nikkaji Number: J1.353.219B,J1.596.196A
• Mol file: 30313-22-5.mol

Synonyms:1-(4-methylphenyl)-5-phenyl-2,4-pentadien-1-one;30313-22-5;NSC 166440;(2E,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one;2,4-Pentadien-1-one, 1-(4-methylphenyl)-5-phenyl-;1-(4-Methylphenyl)-5-phenyl-2,4-pentadiene-1-one;AT-096/40652460;1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one;4-Methylphenyl[(1E,3E)-4-phenyl-1,3-butadienyl] ketone

Chemical Property of 1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one

Chemical Property:

• Vapor Pressure: 4.81E-07mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 413.4 °C at 760 mmHg
• Flash Point: 181.3 °C
• Density: 1.067 g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 248.120115130
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

99% ^*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)C=CC=CC2=CC=CC=C2
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C=C/C2=CC=CC=C2

Technology Process of 1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one

There total 11 articles about 1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one 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: 89.0%

allylbenzene (300-57-2,57807-91-7) + 1-(((dimethyl(oxo)- λ6-sulfanylidene)methyl)sulfonyl)-4-methylbenzene → (2E,4E)-5-phenyl-1-p-tolylpenta-2,4-dien-1-one (30313-22-5,127099-89-2)

Guidance literature:

With 2,6-dimethyl-1,4-benzoquinone; palladium diacetate; triphenylphosphine; In dimethyl sulfoxide; at 65 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; regioselective reaction; Catalytic behavior;

DOI:10.1021/acs.orglett.8b03606

Reference yield: 80.0%

3-phenyl-propenal (104-55-2) + para-methylacetophenone (122-00-9) → 1-(4'-methylphenyl)-5-phenyl-2,4-pentadiene-1-one (30313-22-5,127099-89-2)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield: 67.0%

(E)-3-phenylpropenal (14371-10-9) + para-methylacetophenone (122-00-9) → (2E,4E)-5-phenyl-1-p-tolylpenta-2,4-dien-1-one (30313-22-5,127099-89-2)

Guidance literature:

With lithium hydroxide monohydrate; In ethanol; at 20 ℃; for 72h;

DOI:10.1016/j.bmcl.2015.01.027

upstream raw materials:

para-methylacetophenone

diethyl (1E,3E)-(1-methylsulfonyl-4-phenyl-1,3-butadienyl)phosphonate

3-phenyl-propenal

(E)-3-phenylpropenal

Downstream raw materials:

3a,4-Bis-((E)-styryl)-2,6-di-p-tolyl-3a,4-dihydro-[1,2]thiaphospholo[2,3-b][1,2]thiaphosphinine 8-sulfide

C₂₆H₂₃NO

3,3'-bis-indolyl(phenyl)methane

(S,E)-2-[1-(4-methylphenyl)-1-oxo-5-phenylpent-4-en-3-yl]malononitrile