7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Base Information

Chemical Name:7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
CAS No.:178174-16-8
Molecular Formula:C₁₇H₁₈FN₃O₄
Molecular Weight:347.346
Hs Code.:
DSSTox Substance ID:DTXSID20170436
Wikidata:Q83040350
Mol file:178174-16-8.mol

Synonyms:178174-16-8;7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid;7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid;7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hy droxy-4-oxoquinoline-3-carbox;DTXSID20170436;(S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Suppliers and Price of 7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Chemical Property:

Vapor Pressure:2.67E-15mmHg at 25°C
Boiling Point:601.1°Cat760mmHg
Flash Point:317.4°C
PSA：108.79000
Density:1.586g/cm³
LogP:2.18200
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:347.12813423
Heavy Atom Count:25
Complexity:623

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)O)N4CCC(C4)N)F)C(=O)O
Isomeric SMILES:C1CN(C[C@H]1N)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)O)C4CC4)F

Technology Process of 7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

There total 3 articles about 7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-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: 64.0%

: 178173-99-4
1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxo-7-((S)-3-trifluoroacetylamino-1-pyrrolidinyl)quinoline-3-carboxylic acid

: 178174-16-8
7-((S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Guidance literature:: With sodium hydroxide; for 1h; Ambient temperature;
DOI:10.1248/cpb.44.1074

Reference yield:

: 847233-56-1
1-cyclopropyl-1,4-dihydro-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid difluoroborate ester

: 178174-16-8
7-((S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Et₃N, 2.) Et₃N / 1.) DMSO, RT, 7.5 h, 2.) MeOH, EtCl₂, reflux, 2.5 h

2: TMSCl, NaI / dimethylformamide / 7.87 h / 130 °C

3: 64 percent / 10percent aq.NaOH / 1 h / Ambient temperature

With sodium hydroxide; chloro-trimethyl-silane; triethylamine; sodium iodide; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.44.1074

Reference yield:

: 178173-98-3
1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-((S)-3-trifluoroacetylamino-1-pyrrolidinyl)quinoline-3-carboxylic acid

: 178174-16-8
7-((S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: TMSCl, NaI / dimethylformamide / 7.87 h / 130 °C

2: 64 percent / 10percent aq.NaOH / 1 h / Ambient temperature

With sodium hydroxide; chloro-trimethyl-silane; sodium iodide; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.44.1074