1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

Base Information

• Chemical Name: 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
• CAS No.: 721970-36-1
• Molecular Formula: C20H22FN3O4
• Molecular Weight: 387.4048
• Hs Code.: 29339900
• Mol file: 721970-36-1.mol

Synonyms:1-cyclopropyl-6-fluoro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-quinoline-3-carboxylic acid

Chemical Property of 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 634.886°C at 760 mmHg
• PKA: 6.44±0.50(Predicted)
• Flash Point: 337.767°C
• PSA: 94.80000
• Density: 1.493g/cm³
• LogP: 2.46130
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

MoxifloxacinIMpurityE ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

There total 3 articles about 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid 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: 72.1%

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid (112811-72-0) + (1S,6S)-2,8-diazabicyclo[4.3.0]nonane (151213-40-0,158060-81-2,169533-56-6) → 1-cyclopropyl-7-{(S,S)-2,8-diazabicyclo[4.3.0]non-8-yl}-6-fluoro-8-hydroxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (721970-36-1,1293488-61-5)

Guidance literature:

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; With isobutylamine; copper dichloride; In methanol; ethylene glycol; at 50 ℃; for 4h; Inert atmosphere;

(1S,6S)-2,8-diazabicyclo[4.3.0]nonane; In methanol; ethylene glycol; for 5h; Reflux;

With sodium hydroxide; In methanol; water; ethylene glycol; for 1h; Reflux;

Reference yield: 71.0%

moxifloxacin (151096-09-2,1346747-14-5,158060-78-7,195154-07-5,268545-13-7,354812-41-2) → 1-cyclopropyl-7-{(S,S)-2,8-diazabicyclo[4.3.0]non-8-yl}-6-fluoro-8-hydroxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (721970-36-1,1293488-61-5)

Guidance literature:

With trimethylsilyl iodide; sodium iodide; at 70 ℃; for 11h; Inert atmosphere;

Reference yield:

C7H12N2O → 1-cyclopropyl-7-{(S,S)-2,8-diazabicyclo[4.3.0]non-8-yl}-6-fluoro-8-hydroxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (721970-36-1,1293488-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide; hydrazine / dimethyl sulfoxide / 7 h / 20 - 50 °C

2.1: isobutylamine; copper dichloride / ethylene glycol; methanol / 4 h / 50 °C / Inert atmosphere

2.2: 5 h / Reflux

2.3: 1 h / Reflux

With isobutylamine; potassium hydroxide; copper dichloride; hydrazine; In methanol; ethylene glycol; dimethyl sulfoxide;

upstream raw materials:

moxifloxacin

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

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

Downstream raw materials:

1-cyclopropyl-8-ethoxy-6-fluoro-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4 oxo-1,4-dihydroquinoline-3-carboxylic acid