4-Bromo-6-fluoroquinoline

Base Information

• Chemical Name: 4-Bromo-6-fluoroquinoline
• CAS No.: 661463-17-8
• Molecular Formula: C9H5BrFN
• Molecular Weight: 226.048
• Hs Code.: 2933499090
• European Community (EC) Number: 804-044-9
• DSSTox Substance ID: DTXSID70591859
• Wikidata: Q82485728
• Mol file: 661463-17-8.mol

Synonyms:4-Bromo-6-fluoroquinoline;661463-17-8;MFCD09261094;4-Bromo-6-fluoro-quinoline;SCHEMBL632884;DTXSID70591859;HIWPTYUKGHNQCU-UHFFFAOYSA-N;AMY25866;BCP25748;AKOS002681325;4-Bromo-6-fluoroquinoline, AldrichCPR;CS-W013031;SB71673;AS-41967;SY225920;DB-073714;EN300-817917;A850706

Chemical Property of 4-Bromo-6-fluoroquinoline

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Boiling Point: 299.7°C at 760 mmHg
• PKA: 2.71±0.16(Predicted)
• Flash Point: 135.1°C
• PSA: 12.89000
• Density: 1.647g/cm³
• LogP: 3.13640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.95894
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-6-fluoroquinoline

There total 3 articles about 4-Bromo-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: 79.0%

6-Fluoro-4-hydroxyquinoline (391-78-6) → 4-bromine-6-fluoroquinoline (661463-17-8)

Guidance literature:

With phosphorus tribromide; In N,N-dimethyl-formamide; at 45 - 60 ℃; for 0.75h;

Reference yield: 76.0%

6-fluoroquinolin-4(1H)-one (21873-50-7) → 4-bromine-6-fluoroquinoline (661463-17-8)

Guidance literature:

With phosphorus tribromide; In DMF (N,N-dimethyl-formamide); water; at 0 - 20 ℃; for 1.08333h;

Reference yield:

4-fluoroaniline (371-40-4) → 4-bromine-6-fluoroquinoline (661463-17-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: orthoformic acid triethyl ester / ethanol / 2.5 h / Reflux

1.2: 20 - 280 °C

2.1: phosphorus tribromide / N,N-dimethyl-formamide / 0.75 h / 45 - 60 °C

With phosphorus tribromide; orthoformic acid triethyl ester; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

6-fluoroquinolin-4(1H)-one

6-Fluoro-4-hydroxyquinoline

4-fluoroaniline

Downstream raw materials:

6-fluoro-4-(E)-styryl-quinoline

(R)-N-(4-chlorophenyl)-2-((1S,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide

Refernces

• 1、 -. "3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES". Page/Page column 36. . Retrieved 2009/01/24.