1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

Base Information

Chemical Name:1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
CAS No.:98106-18-4
Molecular Formula:C₂₁H₁₉BrFN₃O₃
Molecular Weight:460.303
Hs Code.:
ChEMBL ID:CHEMBL27682
DSSTox Substance ID:DTXSID701115308
Nikkaji Number:J360.672D

Synonyms:CHEMBL27682;DTXSID701115308;98106-18-4;1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

Suppliers and Price of 1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

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

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Chemical Property of 1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:459.05938
Heavy Atom Count:29
Complexity:674

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)Br)F

Technology Process of 1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

There total 5 articles about 1-(4-Bromophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-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:

: 704-10-9
2,4-dichloro-5-fluoroacetophenone

: 98106-18-4
1-(4-Bromo-phenyl)-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 80 percent / NaH / 1.5 h / 80 °C

2: Ac₂O / 2 h / 130 °C

3: CH₂Cl₂ / 0.5 h / Ambient temperature

4: NaH / 1,2-dimethoxy-ethane / 3 h / 80 °C

5: aq. NaOH / tetrahydrofuran / 1.5 h / 80 °C

6: various solvent(s) / 24 h / 110 °C

With sodium hydroxide; acetic anhydride; sodium hydride; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane;
DOI:10.1021/jm00149a003

Reference yield:

: 86483-51-4
ethyl 2,4-dichloro-5-fluoro-benzoyl-acetate

: 98106-18-4
1-(4-Bromo-phenyl)-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: Ac₂O / 2 h / 130 °C

2: CH₂Cl₂ / 0.5 h / Ambient temperature

3: NaH / 1,2-dimethoxy-ethane / 3 h / 80 °C

4: aq. NaOH / tetrahydrofuran / 1.5 h / 80 °C

5: various solvent(s) / 24 h / 110 °C

With sodium hydroxide; acetic anhydride; sodium hydride; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane;
DOI:10.1021/jm00149a003

Reference yield:

: 86483-52-5
2,4-dichloro-alpha(elhoxymethlene)-5-fluoro-beta-oxo-benzene propanoic acid ethyl ester

: 98106-18-4
1-(4-Bromo-phenyl)-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: CH₂Cl₂ / 0.5 h / Ambient temperature

2: NaH / 1,2-dimethoxy-ethane / 3 h / 80 °C

3: aq. NaOH / tetrahydrofuran / 1.5 h / 80 °C

4: various solvent(s) / 24 h / 110 °C

With sodium hydroxide; sodium hydride; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane;
DOI:10.1021/jm00149a003