3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-

Base Information

• Chemical Name: 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-
• CAS No.: 128740-61-4
• Molecular Formula: C₂₀H₂₁ClFN₃O₃
• Molecular Weight: 405.856
• DSSTox Substance ID: DTXSID80926193
• Mol file: 128740-61-4.mol

Synonyms:128740-61-4;3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-;3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-;SCHEMBL6212466;DTXSID80926193;7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid;8-Chloro-1-cyclopropyl-6-fluoro-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Property of 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-

Chemical Property:

• Vapor Pressure: 1.34E-16mmHg at 25°C
• Boiling Point: 627.2°C at 760 mmHg
• Flash Point: 333.1°C
• Density: 1.486g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 405.1255474
• Heavy Atom Count: 28
• Complexity: 715

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2CN(CC2NC1)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F

Technology Process of 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-

There total 2 articles about 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo- 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:

8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (101987-89-7) + (1S,6S)-2,8-diazabicyclo[4.3.0]nonane (151213-40-0,158060-81-2,169533-56-6) → 8-chloro-1-cyclopropyl-6-fluoro-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (128740-61-4,151213-16-0)

Guidance literature:

In 1,4-diaza-bicyclo[2.2.2]octane; N-methyl-acetamide; acetonitrile;

Reference yield:

1,4-diaza-bicyclo[2.2.2]octane (280-57-9,88935-43-7) + 2,8-diazabicyclo-[4.3.0]-nonane (5654-94-4,158060-81-2,169533-56-6) + I-methyl-2-pyrrolidinone + 2-methoxy-ethanol (109-86-4,95507-80-5) + 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (101987-89-7) → 8-chloro-1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (128740-61-4,151213-16-0)

Guidance literature:

In water; acetonitrile;

upstream raw materials:

8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

1,4-diaza-bicyclo[2.2.2]octane

2,8-diazabicyclo-[4.3.0]-nonane

Refernces

• 1、 -. "7-(1-PYRROLIDINYL)-3-QUINOLONE-AND-NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS AND FEED ADDITIVES". . . Retrieved 2008/06/13.