7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Base Information

Chemical Name:7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CAS No.:114676-82-3
Molecular Formula:C21H18 F3 N3 O3 . Cl H
Molecular Weight:453.846
Hs Code.:
DSSTox Substance ID:DTXSID90875300
Mol file:114676-82-3.mol

Synonyms:SCHEMBL9043188;DTXSID90875300;PD162314;7-(4-amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Suppliers and Price of 7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
A 80556 95.00%
5MG
$ 500.54

Total 0 raw suppliers

Chemical Property of 7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Chemical Property:

Vapor Pressure:2.91E-15mmHg at 25°C
Boiling Point:600.4°C at 760 mmHg
Flash Point:316.9°C
PSA：88.56000
LogP:4.59940
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:417.13002593
Heavy Atom Count:30
Complexity:736

Purity/Quality:: A 80556 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N

Technology Process of 7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

There total 15 articles about 7-(4-Amino-2-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic 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:

: 114676-69-6
(2R,4R)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

: 114676-82-3
(2'S,4'S)-7-(4'-amino-2'-methylpyrrolidinyl)-1-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride

Guidance literature:: Multi-step reaction with 12 steps

1: 99 percent / imidazole / dimethylformamide / 1.5 h / Ambient temperature

2: 93 percent / lithium borohydride / tetrahydrofuran / 16 h

3: 94 percent / triethylamine / CH₂Cl₂ / 15 h

4: lithium triethylborohydride / tetrahydrofuran / 2 h

5: tetra-n-butylammonium fluoride / tetrahydrofuran / 2.5 h

6: 16.1 g / triethylamine / CH₂Cl₂ / 14 h

7: 43 percent / tetra-n-butylammonium azide / acetonitrile / 3 h / 65 °C

8: hydrogen / 10percent palladium on carbon / methanol / 1 h / 3040 Torr

9: triethylamine / pyridine / 19 h / Ambient temperature

10: trifluoroacetic acid / 0.25 h

11: triethylamine / pyridine / 48 h / 40 °C

12: 1.) aq. NaOH, 2.) aq. HCl / 1.) THF, 60 deg C, 4.5 h, 2.) 105 deg C, 17 h

With 1H-imidazole; hydrogenchloride; sodium hydroxide; lithium borohydride; tetrabutyl ammonium fluoride; hydrogen; tetrabutylammoniun azide; lithium triethylborohydride; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00403a020

Reference yield:

: 114676-59-4
(2R,4R)-4-hydroxy-2-methoxycarbonylpyrrolidine hydrochloride

: 114676-82-3
(2'S,4'S)-7-(4'-amino-2'-methylpyrrolidinyl)-1-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride

Guidance literature:: Multi-step reaction with 13 steps

1: 90 percent / triethylamine / CH₂Cl₂ / 12 h

2: 99 percent / imidazole / dimethylformamide / 1.5 h / Ambient temperature

3: 93 percent / lithium borohydride / tetrahydrofuran / 16 h

4: 94 percent / triethylamine / CH₂Cl₂ / 15 h

5: lithium triethylborohydride / tetrahydrofuran / 2 h

6: tetra-n-butylammonium fluoride / tetrahydrofuran / 2.5 h

7: 16.1 g / triethylamine / CH₂Cl₂ / 14 h

8: 43 percent / tetra-n-butylammonium azide / acetonitrile / 3 h / 65 °C

9: hydrogen / 10percent palladium on carbon / methanol / 1 h / 3040 Torr

10: triethylamine / pyridine / 19 h / Ambient temperature

11: trifluoroacetic acid / 0.25 h

12: triethylamine / pyridine / 48 h / 40 °C

13: 1.) aq. NaOH, 2.) aq. HCl / 1.) THF, 60 deg C, 4.5 h, 2.) 105 deg C, 17 h

With 1H-imidazole; hydrogenchloride; sodium hydroxide; lithium borohydride; tetrabutyl ammonium fluoride; hydrogen; tetrabutylammoniun azide; lithium triethylborohydride; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00403a020

Reference yield:

: 113451-51-7
(2S,4S)-4-azido-1-(tert-butoxycarbonyl)-2-methylpyrrolidine

: 114676-82-3
(2'S,4'S)-7-(4'-amino-2'-methylpyrrolidinyl)-1-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: hydrogen / 10percent palladium on carbon / methanol / 1 h / 3040 Torr

2: triethylamine / pyridine / 19 h / Ambient temperature

3: trifluoroacetic acid / 0.25 h

4: triethylamine / pyridine / 48 h / 40 °C

5: 1.) aq. NaOH, 2.) aq. HCl / 1.) THF, 60 deg C, 4.5 h, 2.) 105 deg C, 17 h

With hydrogenchloride; sodium hydroxide; hydrogen; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In pyridine; methanol;
DOI:10.1021/jm00403a020