6-fluoro-1H-indole-4-carboxylic Acid

Base Information

• Chemical Name: 6-fluoro-1H-indole-4-carboxylic Acid
• CAS No.: 908600-71-5
• Molecular Formula: C9H6FNO2
• Molecular Weight: 179.14800
• DSSTox Substance ID: DTXSID40469571
• Nikkaji Number: J2.345.479C
• Wikidata: Q72480189
• Mol file: 908600-71-5.mol

Synonyms:6-fluoro-1H-indole-4-carboxylic Acid;908600-71-5;1H-Indole-4-carboxylic acid, 6-fluoro-;6-Fluoroindole-4-carboxylic acid;MFCD11845462;1H-INDOLE-4-CARBOXYLIC ACID,6-FLUORO;6-Fluoro indole-4-carboxylic acid;AMY9893;DTXSID40469571;6-fluoro-1H-indole-4-carboxylicAcid;AKOS016008995;PB29871;BS-42911;SY321998;CS-0054359;A860681

Chemical Property of 6-fluoro-1H-indole-4-carboxylic Acid

Chemical Property:

• Melting Point: 222-223℃ (methanol )
• Boiling Point: 418.6±25.0 °C(Predicted)
• PKA: 3.57±0.10(Predicted)
• PSA: 53.09000
• Density: 1.510±0.06 g/cm3(Predicted)
• LogP: 2.00520
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.03825660
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99%, ^*data from raw suppliers

6-Fluoro-1H-indole-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=CC(=CC(=C21)C(=O)O)F

Technology Process of 6-fluoro-1H-indole-4-carboxylic Acid

There total 10 articles about 6-fluoro-1H-indole-4-carboxylic Acid 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%

5-chloro-6-fluoroindole-4-carboxylic acid (908600-78-2) → 6-fluoro-1H-indole-4-carboxylic acid (908600-71-5)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; at 25 ℃; for 2h;

DOI:10.1002/ejoc.200600118

Reference yield: 74.0%

6-fluoro-1H-indole-4-carbonitrile (1082040-44-5) → 6-fluoro-1H-indole-4-carboxylic acid (908600-71-5)

Guidance literature:

With sodium hydroxide; In water; at 120 ℃; for 8h; Reagent/catalyst; Temperature; Solvent;

Reference yield: 54.0%

6-fluoro-4-iodoindole (885520-49-0) + carbon dioxide (124-38-9,18923-20-1) → 6-fluoro-1H-indole-4-carboxylic acid (908600-71-5)

Guidance literature:

6-fluoro-4-iodoindole; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 0.75h;

carbon dioxide; In tetrahydrofuran; hexane; cooling;

DOI:10.1002/ejoc.200600118

upstream raw materials:

5-chloro-6-fluoroindole-4-carboxylic acid

6-fluoro-4-iodoindole

carbon dioxide

6-fluoro-1-[tri(propan-2-yl)silyl]-1H-indole

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