1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-

Base Information

• Chemical Name: 1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-
• CAS No.: 131226-04-5
• Molecular Formula: C13H14N2O
• Molecular Weight: 214.267
• DSSTox Substance ID: DTXSID70446456
• Wikidata: Q82265091
• Mol file: 131226-04-5.mol

Synonyms:131226-04-5;1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-;DTXSID70446456

Chemical Property of 1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 318

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2C(=O)C=C(N2C1)C3=CC=CC=C3

Technology Process of 1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-

There total 8 articles about 1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl- 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: 95.0%

7-phenyl-1,6-diazabicyclo<4.3.0>nona-7-dien-9-one (141991-04-0) → 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-1-one (131226-04-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; at 20 ℃; for 1h; under 760 Torr;

DOI:10.1016/S0040-4020(01)92268-9

Reference yield: 93.0%

3-phenyl-N-(pyrrolidin-1-yl)propiolamide → 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-1-one (131226-04-5)

Guidance literature:

With Bathocuproine; copper(ll) bromide; In chlorobenzene; for 0.5h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Mechanism; Reflux;

DOI:10.1021/acs.orglett.0c02378

Reference yield: 81.0%

2-oxo-4-phenyl-1,5-diazaspiro[4.4]non-3-en-5-ium-1-ide → 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-1-one (131226-04-5)

Guidance literature:

With Bathocuproine; copper(ll) bromide; In chlorobenzene; for 0.5h; Reflux;

DOI:10.1021/acs.orglett.0c02378

upstream raw materials:

7-phenyl-1,6-diazabicyclo<4.3.0>nona-7-dien-9-one

3-phenyl-2-(toluene-4-sulfinyl)-hexahydro-pyrazolo[1,2-a]pyridazin-1-one

benzaldehyde

tert-butyl (E)-[(S)-p-tolylsulfinyl]cinnamate

Downstream raw materials:

(+/-)-N⁽¹⁾-acetyl-N⁽¹⁾-deoxymayfoline

1-(2-cyanoethyl)-4-phenyl-1,5-diazacyclononan-2-one

1-(3-aminopropyl)-4-phenyl-1,5-diazacyclononan-2-one

2-phenyl-1,5,9-triazacyclotridecan-4-one