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

Base Information

• Chemical Name: 1,5-Bis(4-azidophenyl)-1,4-pentadien-3-one
• CAS No.: 5284-80-0
• Deprecated CAS: 73771-52-5
• Molecular Formula: C₁₇H₁₂N₆O
• Molecular Weight: 316.322
• Mol file: 5284-80-0.mol

Synonyms:Diazidodibenzalaceton [Czech];1,5-Bis(4-azidophenyl)-1,4-pentadien-3-one;4,4'-Diazidodibenzalacetone;Diazidodibenzalaceton;(1E,4E)-1,5-bis(4-azidophenyl)penta-1,4-dien-3-one;5284-80-0;1,5-Bis(p-azidophenyl)-1,4-pentadien-3-one;1,4-Pentadien-3-one, 1,5-bis(p-azidophenyl)-;1,4-Pentadien-3-one, 1,5-bis(4-azidophenyl)-;1,5-Bis-(4-azidofenyl)-1,4-pentadien-3-on [Czech];1,5-Bis-(4-azidofenyl)-1,4-pentadien-3-on;C17H12N6O;C17-H12-N6-O;LS-101433

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

Chemical Property:

• Melting Point: 158-160 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 455.75°C (rough estimate)
• Density: 1.1763 (rough estimate)
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 316.10725903
• Heavy Atom Count: 24
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]

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

There total 6 articles about 1,5-Bis(4-azidophenyl)-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: 72.0%

4-azidobenzaldehyde (24173-36-2) + acetone (67-64-1) → (1Z,4E)-1,5-Bis-(4-azido-phenyl)-penta-1,4-dien-3-one (73771-52-5,5284-80-0)

Guidance literature:

With sodium; In methanol; for 4h;

Reference yield:

4-nitrobenzaldoxime (1129-37-9,3717-19-9,3717-20-2,140461-32-1,174848-02-3,20707-69-1) → (1Z,4E)-1,5-Bis-(4-azido-phenyl)-penta-1,4-dien-3-one (73771-52-5,5284-80-0)

Guidance literature:

Multi-step reaction with 4 steps

1: NH₄S / ethanol / Heating

2: 1) conc. HCl, NaNO₂, 2) NaN₃ / 1) H₂O, 1 h, 0 - 5 deg C, 2) H₂O

3: phthalic acid anhydride, conc. HCl / ethanol; H₂O / Heating

4: 72 percent / Na / methanol / 4 h

With hydrogenchloride; phthalic anhydride; sodium azide; sodium; sodium nitrite; In methanol; ethanol; water;

Reference yield:

p-Azido-benzaldoxim → (1Z,4E)-1,5-Bis-(4-azido-phenyl)-penta-1,4-dien-3-one (73771-52-5,5284-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: phthalic acid anhydride, conc. HCl / ethanol; H₂O / Heating

2: 72 percent / Na / methanol / 4 h

With hydrogenchloride; phthalic anhydride; sodium; In methanol; ethanol; water;

upstream raw materials:

4-azidobenzaldehyde

acetone

4-nitrobenzaldoxime

p-Amino-benzaldoxim