1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline

Base Information

• Chemical Name: 1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline
• CAS No.: 110719-58-9
• Molecular Formula: C17H20 F N3 O2
• Molecular Weight: 317.363
• DSSTox Substance ID: DTXSID50149372
• Wikidata: Q83015133
• ChEMBL ID: CHEMBL309888
• Mol file: 110719-58-9.mol

Synonyms:1-EFFMPQ;1-ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline

Chemical Property of 1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline

Chemical Property:

• Vapor Pressure: 2.52E-10mmHg at 25°C
• Boiling Point: 505°Cat760mmHg
• Flash Point: 259.2°C
• PSA: 45.55000
• Density: 1.285g/cm³
• LogP: 1.72770
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 317.15395505
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C=O

Technology Process of 1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline

There total 6 articles about 1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline 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: 50.3%

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4(1Η)-one (110719-52-3) + formic acid ethyl ester (109-94-4) → 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1Η)-one-3-carboxaldehyde (110719-58-9)

Guidance literature:

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4(1Η)-one; formic acid ethyl ester; With sodium methylate; In dichloromethane; at 20 ℃;

With manganese(IV) oxide; In methanol; at 20 ℃; for 16h;

Reference yield: 50.0%

→ 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1Η)-one-3-carboxaldehyde (110719-58-9)

Guidance literature:

Reference yield:

pefloxacin hydrazide → 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1Η)-one-3-carboxaldehyde (110719-58-9)

Guidance literature:

With ammonia; potassium hexacyanoferrate(III); In chloroform; water; at 20 ℃;

upstream raw materials:

Pefloxacin

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4(1Η)-one

formic acid ethyl ester

Refernces

• 1、 -. "Mechlorethamine quinolone derivative and preparing method and application thereof". . . Retrieved 2019/06/07.
• 2、 -. "Pefloxacin aldolase 4-aryl thiosemicarbazides derivative and preparation method and application thereof". Paragraph 0031; 0032. . Retrieved 2017/07/19.