4-Chloro-8-fluoroquinoline

Base Information

• Chemical Name: 4-Chloro-8-fluoroquinoline
• CAS No.: 63010-72-0
• Molecular Formula: C9H5ClFN
• Molecular Weight: 181.597
• Hs Code.: 2933499090
• European Community (EC) Number: 670-765-9
• DSSTox Substance ID: DTXSID20371461
• Nikkaji Number: J2.289.086G
• Wikidata: Q72451533
• Mol file: 63010-72-0.mol

Synonyms:4-chloro-8-fluoroquinoline;63010-72-0;4-chloro-8-fluoro-quinoline;Quinoline, 4-chloro-8-fluoro-;MFCD00278785;8-Fluoro-4-chloroquinoline;4-chloro-8fluoroquinoline;SCHEMBL317537;DTXSID20371461;AMY17965;BBL028489;STK788316;AKOS002676102;AB05919;PS-6802;4-Chloro-8-fluoroquinoline, AldrichCPR;C3062;CS-0042912;FT-0618148;EN300-67683;O11224;A834146;F2108-0070

Chemical Property of 4-Chloro-8-fluoroquinoline

Chemical Property:

• Melting Point: 1.366 g/cm³
• Boiling Point: 259.9 °C at 760 mmHg
• Flash Point: 259.9 °C at 760 mmHg
• PSA: 12.89000
• Density: 1.366 g/cm³
• LogP: 3.02730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• 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%,99%, ^*data from raw suppliers

4-Chloro-8-fluoroquinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C(=C1)F)Cl
• Uses: 4-Chloro-8-fluoroquinoline is used as an intermediate in organic synthesis.

Technology Process of 4-Chloro-8-fluoroquinoline

There total 4 articles about 4-Chloro-8-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:

4-amino-8-fluoroquinoline (148401-38-1) → 4-chloro-8-fluoro-quinoline (63010-72-0)

Guidance literature:

4-amino-8-fluoroquinoline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

With tin(II) chloride dihdyrate; In water; at 20 ℃; for 2h;

Reference yield:

5-[(2-fluoro-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione (369395-32-4) → 4-chloro-8-fluoro-quinoline (63010-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diphenyl ether / 0.08 h / 300 °C / microwave irradiation

2: POCl₃ / 3 h / Heating

With trichlorophosphate; In diphenylether;

DOI:10.1016/j.bmcl.2004.12.037

Reference yield:

8-fluoro-4-hydroxyquinoline (63010-71-9) → 4-chloro-8-fluoro-quinoline (63010-72-0)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1016/j.bmcl.2004.12.037

upstream raw materials:

8-fluoro-4-hydroxyquinoline

5-[(2-fluoro-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione

4-amino-8-fluoroquinoline

Downstream raw materials:

8-fluoro-4-hydrazinylquinoline

4-tert-butyl-N-(1-(8-fluoroquinolin-4-yl)-3-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2'-fluoro-5'-(8-fluoroquinolin-4-yl)biphenyl-2-carbonitrile

4-cyano-8-fluoro-quinoline

Refernces

• 1、 -. "AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES". Paragraph 0131; 0132. . Retrieved 2013/09/12.