3-Fluoro-4-iodoquinoline

Base Information

• Chemical Name: 3-Fluoro-4-iodoquinoline
• CAS No.: 213772-63-5
• Molecular Formula: C9H5 F I N
• Molecular Weight: 273.048
• DSSTox Substance ID: DTXSID40455530
• Wikidata: Q82277590
• Mol file: 213772-63-5.mol

Synonyms:3-Fluoro-4-iodoquinoline;213772-63-5;3-fluoro-4-iodo-quinoline;SCHEMBL1757961;DTXSID40455530;DITDYVZDDKBMGH-UHFFFAOYSA-N;MFCD03093328;InChI=1/C9H5FIN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5;SB71240;CS-0336449

Chemical Property of 3-Fluoro-4-iodoquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 2.97850
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 272.94507
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99%+ ^*data from raw suppliers

3-Fluoro-4-iodoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C=N2)F)I

Technology Process of 3-Fluoro-4-iodoquinoline

There total 2 articles about 3-Fluoro-4-iodoquinoline 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: 94.0%

3-fluoroquinoline (396-31-6) → 3-fluoro-4-iodoquinoline (213772-63-5)

Guidance literature:

3-fluoroquinoline; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 4h;

With iodine; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1016/S0040-4020(99)00715-2

Reference yield:

3-aminoquinoline (580-17-6) → 3-fluoro-4-iodoquinoline (213772-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; tetrafluoroboric acid / water / 20 °C / Cooling with ice

1.2: 1 h / 110 °C

2.1: lithium diisopropyl amide / hexane; tetrahydrofuran / 4 h / -85 - -78 °C

2.2: 2 h / -85 - -78 °C

With tetrafluoroboric acid; lithium diisopropyl amide; sodium nitrite; In tetrahydrofuran; hexane; water; 1.1: |Balz-Schiemann Reaction / 1.2: |Balz-Schiemann Reaction;

DOI:10.1021/acs.jmedchem.5b01374

Reference yield: 95.0%

3-fluoro-4-iodoquinoline (213772-63-5) + formic acid ethyl ester (109-94-4) → 3-fluoro-4-iodo-4-quinolinecarboxaldehyde (250739-98-1)

Guidance literature:

3-fluoro-4-iodoquinoline; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h;

formic acid ethyl ester; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1016/S0040-4020(99)00715-2

upstream raw materials:

3-fluoroquinoline

3-aminoquinoline

Downstream raw materials:

3-fluoro-4-(1-hydroxyethyl)-2-iodoquinoline

3-fluoro-4-iodo-4-quinolinecarboxaldehyde

2,3-dimethyl-N-(2-(3-fluoroquinol-2-yl)phenyl)propanamide

2,2-dimethyl-N-(2-(3-fluoro-4-methylquinol-2-yl)phenyl)propanamide

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