8-Bromo-3-fluoroquinoline

Base Information

• Chemical Name: 8-Bromo-3-fluoroquinoline
• CAS No.: 834884-06-9
• Molecular Formula: C₉H₅BrFN
• Molecular Weight: 226.048
• Hs Code.: 2933491090
• DSSTox Substance ID: DTXSID50479742
• Nikkaji Number: J2.136.906C
• Wikidata: Q82313930
• Mol file: 834884-06-9.mol

Synonyms:8-Bromo-3-fluoroquinoline;834884-06-9;SCHEMBL3713340;DTXSID50479742;QJXZJENSGNZKFV-UHFFFAOYSA-N;8-bromo-3-fluoroquinoline, >98%;AMY26550;MFCD12546390;AKOS024263608;SB72084;AS-30347;CS-0146604;FT-0762551

Chemical Property of 8-Bromo-3-fluoroquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 3.13640
• Storage Temp.: 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:

97% ^*data from raw suppliers

8-Bromo-3-fluoroquinoline 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=CN=C2C(=C1)Br)F

Technology Process of 8-Bromo-3-fluoroquinoline

There total 5 articles about 8-Bromo-3-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: 90.0%

2,8-dibromo-3-fluoroquinoline (834884-04-7) → 8-bromo-3-fluoroquinoline (834884-06-9)

Guidance literature:

With n-butyllithium; In hexane; toluene; at -100 ℃; for 0.75h;

DOI:10.1016/j.tet.2004.10.053

Reference yield: 45.0%

8-amino-3-fluoroquinoline (846038-33-3) → 8-bromo-3-fluoroquinoline (834884-06-9)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 70 ℃; for 18h;

Reference yield:

2-bromoaniline (615-36-1) → 8-bromo-3-fluoroquinoline (834884-06-9)

Guidance literature:

Multi-step reaction with 4 steps

1: butyllithium / tetrahydrofuran; hexane / 1 h / 25 °C

2: 71.4 g / sulfuric acid / 5 h / 50 °C

3: 77 percent / phosphoric tribromide / 0.5 h / 150 °C

4: 90 percent / butyllithium / toluene; hexane / 0.75 h / -100 °C

With n-butyllithium; sulfuric acid; phosphorus(V) oxybromide; In tetrahydrofuran; hexane; toluene;

DOI:10.1016/j.tet.2004.10.053

upstream raw materials:

2,8-dibromo-3-fluoroquinoline

2-bromoaniline

8-bromo-3-fluoroquinol-2(1H)-one

8-amino-3-fluoroquinoline

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