2-Chloro-6-fluoroquinoline

Base Information

• Chemical Name: 2-Chloro-6-fluoroquinoline
• CAS No.: 77119-53-0
• Molecular Formula: C9H5 Cl F N
• Molecular Weight: 181.597
• Hs Code.: 2933499090
• European Community (EC) Number: 800-801-2
• DSSTox Substance ID: DTXSID50567673
• Nikkaji Number: J3.396.638E
• Wikidata: Q82453646
• Mol file: 77119-53-0.mol

Synonyms:2-chloro-6-fluoroquinoline;77119-53-0;2-chloro-6-fluoro-quinoline;MFCD08236768;Quinoline, 2-chloro-6-fluoro-;SCHEMBL755383;DTXSID50567673;USAYWGMYCNWTGO-UHFFFAOYSA-N;AMY14280;AKOS013465538;AB43963;AS-48229;SY103126;CS-0136088;F19958;EN300-1234987;A865359;F0001-2444

Chemical Property of 2-Chloro-6-fluoroquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 3.02730
• Storage Temp.: Room temperature.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.0094550
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-fluoroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=N2)Cl)C=C1F

Technology Process of 2-Chloro-6-fluoroquinoline

There total 9 articles about 2-Chloro-6-fluoroquinoline 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: 80.0%

6-fluoroquinoline N--oxide (2338-74-1) → 2-chloro-6-fluoro-quinoline (77119-53-0)

Guidance literature:

With trichlorophosphate; In dichloromethane; N,N-dimethyl-formamide; at 0 - 25 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.11.005

Reference yield: 78.0%

6-fluoro-1H-quinolin-2-one (22614-75-1) → 2-chloro-6-fluoro-quinoline (77119-53-0)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 4h;

Reference yield: 75.0%

→ 2-chloro-6-fluoro-quinoline (77119-53-0)

Guidance literature:

With P,P-dichlorophenylphosphine oxide; at 160 ℃; for 8h; Sealed tube;

upstream raw materials:

2-Chloroquinoline

6-fluoro-1H-quinolin-2-one

(2E)-N-(4-fluorophenyl)-3-phenylacrylamide

4-fluoroaniline

Downstream raw materials:

6-fluoroquinolin-2-amine