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

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-methoxyphenyl)-
• CAS No.: 93415-14-6
• Molecular Formula: C₂₉H₂₅ClN₄O₃
• Molecular Weight: 512.995
• DSSTox Substance ID: DTXSID50918449
• Mol file: 93415-14-6.mol

Synonyms:BRN 4620721;1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)5-(2-methoxyphenyl)-;93415-14-6;DTXSID50918449;1-{2-[1-Acetyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}-3-chloro-4-(1H-indol-3-yl)azetidin-2-one

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-methoxyphenyl)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 512.1615184
• Heavy Atom Count: 37
• Complexity: 914

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=C6OC

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-methoxyphenyl)-

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-methoxyphenyl)- 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: 45.0%

1-acetyl-3-o-(indol-3-yl-methyleneamino)phenyl-5-(o-methoxyphenyl)-2-pyrazoline (93415-43-1) + chloroacetyl chloride (79-04-9) → 1-acetyl-3-o-(3-chloro-2-indol-3-yl-4-oxo-1-azetidinyl)phenyl-5-(2-methoxyphenyl)-2-pyrazoline (93415-14-6)

Guidance literature:

With triethylamine; In benzene; Ambient temperature;

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-acetyl-3-o-(3-chloro-2-indol-3-yl-4-oxo-1-azetidinyl)phenyl-5-(2-methoxyphenyl)-2-pyrazoline (93415-14-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / methanol / 18 h / Heating

2: 75 percent / piperidine / ethanol / Heating

3: 55 percent / H₂N-NH₂*H₂O / ethanol / Heating

4: 45 percent / Et₃N / benzene / Ambient temperature

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

Reference yield:

2-aminoacetophenone (551-93-9) → 1-acetyl-3-o-(3-chloro-2-indol-3-yl-4-oxo-1-azetidinyl)phenyl-5-(2-methoxyphenyl)-2-pyrazoline (93415-14-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / methanol / 18 h / Heating

2: 75 percent / piperidine / ethanol / Heating

3: 55 percent / H₂N-NH₂*H₂O / ethanol / Heating

4: 45 percent / Et₃N / benzene / Ambient temperature

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

upstream raw materials:

1-acetyl-3-o-(indol-3-yl-methyleneamino)phenyl-5-(o-methoxyphenyl)-2-pyrazoline

chloroacetyl chloride

Indole-3-carboxaldehyde

2-aminoacetophenone