1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one

Base Information

• Chemical Name: 1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one
• CAS No.: 53369-00-9
• Molecular Formula: C₁₇H₁₂F₂O
• Molecular Weight: 270.278
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20361483
• Mol file: 53369-00-9.mol

Synonyms:1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one;1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one;IFLab1_001709;DTXSID20361483;AKOS030229962;UPCMLD0ENAT5763117:001;1,5-Bis-(4-fluorophenyl)-penta-1,4-dien-3-one

Chemical Property of 1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one

Chemical Property:

• Vapor Pressure: 1.46E-06mmHg at 25°C
• Melting Point: 141-146 °C
• Boiling Point: 398.6°Cat760mmHg
• Flash Point: 151.8°C
• PSA: 17.07000
• Density: 1.221g/cm³
• LogP: 4.26050
• Storage Temp.: Refrigerator
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 270.08562133
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

trans,trans-1,5-bis(4-Fluorophenyl)-1,4-pentadien-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)F)F

Technology Process of 1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one

There total 4 articles about 1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-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: 99.0%

4-fluorobenzaldehyde (459-57-4) + acetone (67-64-1) → (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one (33386-21-9,53369-00-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 1h;

DOI:10.1002/anie.200500927

Reference yield: 93.0%

4-fluorobenzaldehyde (459-57-4) + acetone (67-64-1) → 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one (53369-00-9,33386-21-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5dt02366a

Reference yield:

→ 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one (53369-00-9,33386-21-9) + 1,5-[bis(4-fluorophenyl)]-3-pentanone (174485-41-7)

Guidance literature:

upstream raw materials:

4-fluorobenzaldehyde

acetone

Downstream raw materials:

C₁₉H₁₆F₂N₂O

ethyl (2R,6R)-2,6-bis(4-fluorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indoline]-1'-carboxylate

2,6-bis(4-fluorophenyl)spiro[cyclohexane-1,3'-indoline]-2',4-dione

C₃₀H₂₇F₂NO₄