4-Chloro-6-fluoroquinoline

Base Information

• Chemical Name: 4-Chloro-6-fluoroquinoline
• CAS No.: 391-77-5
• Molecular Formula: C9H5ClFN
• Molecular Weight: 181.597
• Hs Code.: 2933499090
• European Community (EC) Number: 670-383-2
• DSSTox Substance ID: DTXSID60371460
• Wikidata: Q72451528
• Mol file: 391-77-5.mol

Synonyms:4-chloro-6-fluoromethylquinoline;4-Chloro-6-Fluoroquinoline;4-Chlor-6-fluor-chinolin;4-chloro-6-fluoro-quinoline;

Chemical Property of 4-Chloro-6-fluoroquinoline

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Melting Point: 95 °C
• Refractive Index: 1.626
• Boiling Point: 259.944 °C at 760 mmHg
• PKA: 2.90±0.16(Predicted)
• Flash Point: 111.011 °C
• PSA: 12.89000
• Density: 1.366 g/cm³
• LogP: 3.02730
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• 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:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41-37/38
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=NC=CC(=C2C=C1F)Cl

Technology Process of 4-Chloro-6-fluoroquinoline

There total 7 articles about 4-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: 86.0%

→ 4-Chloro-6-fluoroquinoline (391-77-5)

Guidance literature:

Reference yield: 85.0%

6-fluoro-2,3-dihydroquinolin-4(1H)-one (38470-26-7) → 4-Chloro-6-fluoroquinoline (391-77-5)

Guidance literature:

With manganese(IV) oxide; iodine; trichlorophosphate; In 1,2-dichloro-ethane; at 50 ℃; for 2h; Reagent/catalyst;

Reference yield:

6-Fluoro-4-hydroxyquinoline (391-78-6) → 4-Chloro-6-fluoroquinoline (391-77-5)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 130 ℃;

DOI:10.1021/ja01194a061

upstream raw materials:

6-Fluoro-4-hydroxyquinoline

6-fluoro-4-hydroxy-quinoline-3-carboxylic acid

ethyl 6-fluoro-4-hydroxy-3-quinoline-carboxylate

diethyl 2-(4-fluoroanilino)methylenemalonate

Downstream raw materials:

(2S)-2-[benzyl[(2R)-2-(4-benzyloxy-3-nitrophenyl)-2-hydroxyethyl]amino]-3-[4-(6-fluoroquinolin-4-yloxy)phenyl]propan-1-ol

4-chloro-6-fluoro-2-(4-fluorophenyl)quinoline

Refernces

• 1、 -. "4-Piperidino-2-phenylquinolines". . . Retrieved 2008/06/13.
• 2、 -. "7-Hydroxy-benzo[ij]quinolizine-2-carboxylic acids and derivatives thereof". . . Retrieved 2008/06/13.