1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)-

Base Information

Chemical Name:1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)-
CAS No.:93415-45-3
Molecular Formula:C₂₈H₂₂ClFN₄O₂
Molecular Weight:500.96
Hs Code.:
DSSTox Substance ID:DTXSID30918447

Synonyms:BRN 4618564;1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)-;93415-45-3;DTXSID30918447;1-{2-[1-Acetyl-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}-3-chloro-4-(1H-indol-3-yl)azetidin-2-one

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)-

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:500.1415318
Heavy Atom Count:36
Complexity:901

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=C2N3C(C(C3=O)Cl)C4=CNC5=CC=CC=C54)C6=CC=CC=C6F

Technology Process of 1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)-

There total 5 articles about 1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(2-fluorophenyl)- 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: 35.0%

: 93415-41-9
1-[5-(2-Fluoro-phenyl)-3-(2-{[1-(1H-indol-3-yl)-meth-(E)-ylidene]-amino}-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone

: 79-04-9
chloroacetyl chloride

: 93415-45-3
1-acetyl-3--5-(2-fluorophenyl)-2-pyrazoline

Guidance literature:: With triethylamine; In benzene; for 168h; Ambient temperature;

Reference yield:

: 487-89-8,1228547-52-1
Indole-3-carboxaldehyde

: 93415-45-3
1-acetyl-3--5-(2-fluorophenyl)-2-pyrazoline

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / methanol / 18 h / Heating

2: 65 percent / piperidine / ethanol / 10 h / Heating

3: 50 percent / H₂N-NH₂*H₂O / ethanol / Heating

4: 35 percent / Et₃N / benzene / 168 h / Ambient temperature

With piperidine; hydrazine hydrate; triethylamine; In methanol; ethanol; benzene;

Reference yield:

: 551-93-9
2-aminoacetophenone

: 93415-45-3
1-acetyl-3--5-(2-fluorophenyl)-2-pyrazoline

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / methanol / 18 h / Heating

2: 65 percent / piperidine / ethanol / 10 h / Heating

3: 50 percent / H₂N-NH₂*H₂O / ethanol / Heating

4: 35 percent / Et₃N / benzene / 168 h / Ambient temperature

With piperidine; hydrazine hydrate; triethylamine; In methanol; ethanol; benzene;