4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole

Base Information

• Chemical Name: 4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole
• CAS No.: 93415-44-2
• Molecular Formula: C₂₆H₂₂N₄O
• Molecular Weight: 406.487
• Mol file: 93415-44-2.mol

Synonyms:BRN 4581416;1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-;4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole;93415-44-2;C26H22N4O;C26-H22-N4-O;LS-128431

Chemical Property of 4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 8.81E-15mmHg at 25°C
• Boiling Point: 609.1°C at 760 mmHg
• Flash Point: 322.2°C
• Density: 1.23g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 406.17936134
• Heavy Atom Count: 31
• Complexity: 698

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43)C5=CC=CC=C5

Technology Process of 4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole

There total 4 articles about 4,5-Dihydro-1-acetyl-3-(2-((1H-indol-3-ylmethylene)amino)phenyl)-5-phenyl-1H-pyrazole 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: 60.0%

(E)-1-(2-{[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-3-phenyl-propenone (89410-21-9) + acetic acid (64-19-7,77671-22-8) → 1-[3-(2-{[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone (93415-44-2)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-[3-(2-{[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone (93415-44-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / methanol / 18 h / Heating

2: 65 percent / piperidine / ethanol / Heating

3: 60 percent / H₂N-NH₂*H₂O / ethanol / Heating

With piperidine; hydrazine hydrate; In methanol; ethanol;

Reference yield:

2-aminoacetophenone (551-93-9) → 1-[3-(2-{[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone (93415-44-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / methanol / 18 h / Heating

2: 65 percent / piperidine / ethanol / Heating

3: 60 percent / H₂N-NH₂*H₂O / ethanol / Heating

With piperidine; hydrazine hydrate; In methanol; ethanol;

upstream raw materials:

(E)-1-(2-{[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-3-phenyl-propenone

acetic acid

Indole-3-carboxaldehyde

2-aminoacetophenone

Downstream raw materials:

1-[2-(1-Acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenyl]-3-chloro-4-(1H-indol-3-yl)-azetidin-2-one