7,8-Difluoroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 7,8-Difluoroquinoline-3-carboxylic acid
• CAS No.: 318685-41-5
• Molecular Formula: C10H5F2NO2
• Molecular Weight: 209.15
• Hs Code.: 2933491090
• European Community (EC) Number: 968-889-6
• Mol file: 318685-41-5.mol

Synonyms:7,8-difluoroquinoline-3-carboxylic acid;318685-41-5;7,8-difluoroquinoline-3-carboxylicacid;SCHEMBL2675814;AMY26376;MFCD24483950;AKOS025396510;DS-8731;SB71928;DB-229594;CS-0060360;7 pound not8-Difluoroquinoline-3-carboxylic acid;EN300-5389217;Z1508955702

Chemical Property of 7,8-Difluoroquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 357.7±37.0 °C(Predicted)
• PKA: 3.21±0.30(Predicted)
• PSA: 50.19000
• Density: 1.518±0.06 g/cm3(Predicted)
• LogP: 2.21120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 209.02883473
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

98.5% ^*data from raw suppliers

7,8-Difluoroquinoline-3-carboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C2=NC=C(C=C21)C(=O)O)F)F

Technology Process of 7,8-Difluoroquinoline-3-carboxylic acid

There total 3 articles about 7,8-Difluoroquinoline-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: 85.0%

7,8-difluoroquinoline-3-carboxylic acid methyl ester → 7,8-difluoro-quinoline-3-carboxylic acid (318685-41-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 4h;

Reference yield:

7,8-Difluoroquinoline (145241-76-5) → 7,8-difluoro-quinoline-3-carboxylic acid (318685-41-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N-Bromosuccinimide; acetic acid / 12 h / 110 °C

2: palladium diacetate / methanol / 8 h / 60 °C / 3102.97 Torr

3: sodium hydroxide; water / methanol / 4 h / 20 °C

With N-Bromosuccinimide; water; palladium diacetate; acetic acid; sodium hydroxide; In methanol;

Reference yield:

→ 7,8-difluoro-quinoline-3-carboxylic acid (318685-41-5) + ethyl 7,8-difluoroquinoline-3-carboxylate (318685-46-0)

Guidance literature:

upstream raw materials:

7,8-Difluoroquinoline

Refernces

• 1、 -. "Benzo[f]naphthyridine derivatives, their preparation and compositions containing them". . . Retrieved 2008/06/13.