78431-47-7

Basic information

• Product Name: (3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline
• CAS NO: 78431-47-7
• Molecular Formula: C₂₅H₂₄N₄O₄S
• Molecular Weight: 476.5475
• Mol File: 78431-47-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 676.7°C at 760 mmHg
• Flash Point: 363.1°C
• Density: 1.38g/cm³
• Vapor Pressure: 3.58E-18mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: (3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline(CAS DataBase Reference)
• NIST Chemistry Reference: (3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline(78431-47-7)
• EPA Substance Registry System: (3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline(78431-47-7)

Safety Data

• Hazardous Substances Data: 78431-47-7(Hazardous Substances Data)

Usage

General Description

The chemical "(3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline" is a complex organic compound with a molecular structure that includes pyridine, quinoline, and tetrahydro-pyrazolo rings. It also contains a sulfonyl group and an acetyl group, as well as a methoxy and a methylphenyl substituent. (3R,3aR)-2-acetyl-8-methoxy-5-[(4-methylphenyl)sulfonyl]-3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-pyrazolo[4,3-c]quinoline may have potential pharmacological properties related to its structural features, and it could be of interest for further research in the fields of medicinal chemistry and drug development.

Upstream product

• 75227-41-7 N-tosyl-6-methoxy-2,3-dihydroquinolin-4-one 
• 872-85-5 pyridine-4-carbaldehyde 
• 78439-93-7 trans-N-tosyl-6-methoxy-3-(4-pyridinomethylene)-2,3-dihydro-4-quinolone 
• 64-19-7 acetic acid 

Relevant articles and documents

Studies in Antifertility Agents: Part XXXII-Synthesis and Stereochemistry of 3,3a-trans- and cis-2(H)-Acetyl-3-aryl-3,3a-dihydropyrazolochromenes, Pyrazolobenzocycloalk-1-enes and 3,3a-trans- and cis-(2H)-Acetyl-3-aryl-8-methoxy-5-tosyl-3,3a,4,5-tetrahydropyrazolo<4,...

Condensation of 4-chromanones (1,2), benzocycloalkan-1-ones (3,4) and N-tosyl-6-methoxy-2,3-dihydro-4-quinolone (5) with araldehydes ( 6-9) in the presence of HCl, KOH and NaOMe respectively gives the corresponding arylideno-ketones (10-17).These arylidenes (10-17) when refluxed with NH2-NH2*H2O in AcOH furnish the title compounds, 3,3a-trans- and cis-2(H)-acetyl-3-aryl-3,3a-dihydropyrazolochromenes (18a,b-21a,b), pyrazolobenzocycloalk-1-enes (22a,b-23a,b), and 3,3a-trans- and cis-2(H)-acetyl-3-aryl-8-methoxy-5-tosyl-3,3a,4,5-tetrahydropyrazoloquinolines (24a,b-25a,b).This cis- and trans-isomers have been separated by column chromatography over silica gel or by fractional crystallization and their stereochemistry has been assigned on the basis of PMR decoupling studies.Refluxing of 3-benzylidene-4-chromanone (10) with PhNHNH2 furnishes 3,3a-trans-2,3-diphenyl-3,3a-dihydropyrazolochromene (26).Treatment of 4 with NH2NH2*H2O in AcOH affords its acethydrazone derivative (27).The trans- and cis-mixtures of compounds 24 and 25 show antiimplantation activity at 20 mg/kg dose in female albino rats.