8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• CAS No.: 127199-27-3
• Molecular Formula: C13H7ClF3NO3
• Molecular Weight: 317.652
• DSSTox Substance ID: DTXSID50440139
• Wikidata: Q72518364
• Mol file: 127199-27-3.mol

Synonyms:127199-27-3;8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;8-CHLORO-6,7-DIFLUORO-1-[(1R,2S)-2-FLUOROCYCLOPROPYL]-4-OXOQUINOLINE-3-CARBOXYLIC ACID;3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-;8-chloro-6,7-difluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;SCHEMBL500581;DTXSID50440139;8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)--4-oxo-1,4-dihydroquinoline-3-carboxylic acid;MFCD23701744;AKOS016012124;AM85537;DS-2831;8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid;CS-0157870;C72132;A854851;8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Chemical Property of 8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 475.6±45.0 °C(Predicted)
• PKA: 6.33±0.50(Predicted)
• PSA: 59.30000
• Density: 1.71
• LogP: 2.91420
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 317.0066553
• Heavy Atom Count: 21
• Complexity: 529

Purity/Quality:

99%, ^*data from raw suppliers

8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O
• Isomeric SMILES: C1[C@H]([C@H]1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O

Technology Process of 8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

There total 4 articles about 8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-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: 90.0%

8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester (127199-25-1) → 8-chloro-6,7-difluoro-1-[(1R,2S)-cis-2-fluoro-1-cyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (127199-27-3,1229623-10-2)

Guidance literature:

With hydrogenchloride; at 110 ℃; for 2.5h;

DOI:10.1021/jm00046a019

Reference yield:

2-(3-chloro-2,4,5-trifluorobenzoyl)-3-{[(1R,2S)-2-fluorocyclopropyl]amino}acrylate ethyl ester → 8-chloro-6,7-difluoro-1-[(1R,2S)-cis-2-fluoro-1-cyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (127199-27-3,1229623-10-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NaH / dioxane / 2 h / Ambient temperature

2: 90 percent / 35percent HCl / 2.5 h / 110 °C

With hydrogenchloride; sodium hydride; In 1,4-dioxane;

DOI:10.1021/jm00046a019

Reference yield:

ethyl β-(3-chloro-2,4,5-trifluorophenyl)-β-oxopropionate (101987-86-4) → 8-chloro-6,7-difluoro-1-[(1R,2S)-cis-2-fluoro-1-cyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (127199-27-3,1229623-10-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic anhydride / 1.5 h / 110 - 120 °C

1.2: 1 h / 20 °C

2.1: sodium hydride / 1,4-dioxane / 1 h

3.1: hydrogenchloride; acetic acid / water / 120 - 130 °C

With hydrogenchloride; acetic anhydride; sodium hydride; acetic acid; In 1,4-dioxane; water;

DOI:10.14233/ajchem.2014.17864

upstream raw materials:

8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

ethyl β-(3-chloro-2,4,5-trifluorophenyl)-β-oxopropionate

Downstream raw materials:

sitafloxacin

7-((R)-7-Amino-5-aza-spiro[2.4]hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluoro-cyclopropyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 127199-27-3 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-

Send

Send

Metric Ton KG G Pound L ML

Send

Send