5-Chloro-6-fluoro-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 5-Chloro-6-fluoro-1H-indole-2-carboxylic acid
• CAS No.: 169674-55-9
• Molecular Formula: C9H5ClFNO2
• Molecular Weight: 213.59300
• DSSTox Substance ID: DTXSID30597135
• Wikidata: Q82492629

Synonyms:169674-55-9;5-Chloro-6-fluoro-1H-indole-2-carboxylic acid;5-chloro-6-fluoro-indole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 5-chloro-6-fluoro-;SCHEMBL741404;DTXSID30597135;JENHWJXKKPCHHG-UHFFFAOYSA-N;5-Chloro-6-fluoroindole-2-carboxylic acid;DB-219457;5-Chloro-6-fluoro-1H-indole-2-carboxylicacid

Chemical Property of 5-Chloro-6-fluoro-1H-indole-2-carboxylic acid

Chemical Property:

• PSA: 53.09000
• LogP: 2.65860
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.9992843
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

5-chloro-6-fluoro-1H-Indole-2-carboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=C(NC2=CC(=C1Cl)F)C(=O)O

Technology Process of 5-Chloro-6-fluoro-1H-indole-2-carboxylic acid

There total 3 articles about 5-Chloro-6-fluoro-1H-indole-2-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:

methyl 5-chloro-6-fluoro-1H-indole-2-carboxylate (169674-14-0) → 5-chloro-6-fluoro-indole-2-carboxylic acid (169674-55-9)

Guidance literature:

methyl 5-chloro-6-fluoro-1H-indole-2-carboxylate; With lithium hydroxide; water; In tetrahydrofuran; methanol; at 20 ℃; for 4h;

With hydrogenchloride; In water;

Reference yield:

methyl α-azido-3-chloro-4-fluorocinnamate (169674-53-7) → 5-chloro-6-fluoro-indole-2-carboxylic acid (169674-55-9) + 7-chloro-6-fluoroindole-2-carboxylic acid

Guidance literature:

methyl α-azido-3-chloro-4-fluorocinnamate; In xylene; for 0.75h; Heating;

With sodium hydroxide; In ethanol; at 20 ℃; for 2h; Further stages. Title compound not separated from byproducts.;

DOI:10.1002/jhet.5570450311

Reference yield:

methyl 3-chloro-4-fluoro-α-azidocinnamate → 5-chloro-6-fluoro-indole-2-carboxylic acid (169674-55-9) + 7-chloro-6-fluoroindole-2-carboxylic acid

Guidance literature:

methyl 3-chloro-4-fluoro-α-azidocinnamate; In xylene; at 140 ℃; for 0.75h;

With sodium hydroxide; In ethanol; at 20 ℃; for 2h; Further stages. Title compound not separated from byproducts.;

DOI:10.1016/j.ejmech.2007.09.018

upstream raw materials:

methyl 5-chloro-6-fluoro-1H-indole-2-carboxylate

methyl α-azido-3-chloro-4-fluorocinnamate

Downstream raw materials:

5-chloro-6-fluoro-1H-indole

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