3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-

Base Information

Chemical Name:3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-
CAS No.:110236-78-7
Molecular Formula:C₁₇H₁₈F₂N₄O₃
Molecular Weight:364.352
Hs Code.:
DSSTox Substance ID:DTXSID20149187
Nikkaji Number:J324.329J
Wikidata:Q83014902
ChEMBL ID:CHEMBL274469

Synonyms:110236-78-7;CP 104830;3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-;CHEMBL274469;5-Amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid;Oprea1_693821;SCHEMBL6305453;DTXSID20149187;C17H18F2N4O3;LMOANZHDQSNEII-UHFFFAOYSA-N;BDBM50227283;5-amino-1-cyclopropyl-6,8-difluoro-7-(1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;CP-104830;LS-141525;5-amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

Suppliers and Price of 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-

Chemical Property:

Vapor Pressure:6.35E-18mmHg at 25°C
Boiling Point:652.7°Cat760mmHg
Flash Point:348.5°C
Density:1.562g/cm³
XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:364.13469677
Heavy Atom Count:26
Complexity:636

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1N2C=C(C(=O)C3=C(C(=C(C(=C32)F)N4CCNCC4)F)N)C(=O)O

Technology Process of 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-

There total 6 articles about 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)- 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: 75.0%

: 110-85-0
piperazine

: 103772-14-1
5-Amino-1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

: 110236-78-7
5-amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

Guidance literature:: With pyridine; at 80 ℃; for 0.666667h;
DOI:10.1021/jm00168a018

Reference yield:

: 107564-02-3
1-cyclopropyl-5,6,7,8-tetrafluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,ethyl ester

: 110236-78-7
5-amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 79 percent / triethylamine / toluene / 1 h / Heating

2: 96 percent / acetic acid, aq. H₂SO₄ / 0.17 h / 100 °C

3: 75 percent / pyridine / 0.67 h / 80 °C

With pyridine; sulfuric acid; acetic acid; triethylamine; In toluene;
DOI:10.1021/jm00168a018

Reference yield:

: 110872-04-3
ethyl 5-(benzylamino)-1-cyclopropyl-6,7,8-trifluoro-4(1H)-oxoquinoline-3-carboxylate

: 110236-78-7
5-amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / acetic acid, aq. H₂SO₄ / 0.17 h / 100 °C

2: 75 percent / pyridine / 0.67 h / 80 °C

With pyridine; sulfuric acid; acetic acid;
DOI:10.1021/jm00168a018