PR5UH2Mrs3

Base Information

Chemical Name:PR5UH2Mrs3
CAS No.:98106-19-5
Molecular Formula:C₂₁H₁₉ClFN₃O₃
Molecular Weight:415.852
Hs Code.:
UNII:PR5UH2MRS3
ChEMBL ID:CHEMBL31244
Nikkaji Number:J360.667H

Synonyms:PR5UH2MRS3;Oprea1_508015;CHEMBL31244;98106-19-5;DIFLOXACIN HYDROCHLORIDE TRIHYDRATE FOR VETERINARY USE IMPURITY C [EP IMPURITY];1-(4-Chlorophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid;1-(4-chlorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;3-Quinolinecarboxylic acid, 1-(4-chlorophenyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-

Suppliers and Price of PR5UH2Mrs3

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of PR5UH2Mrs3

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:415.1098973
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)Cl)F

Technology Process of PR5UH2Mrs3

There total 6 articles about PR5UH2Mrs3 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

: 98106-19-5
1-(4-Chloro-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

: 98106-19-5
1-(4-Chloro-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:

: 106-47-8
4-chloro-aniline

: 98106-19-5
1-(4-Chloro-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