2-Methyl-1H-indole-6-carboxylic acid

Base Information

• Chemical Name: 2-Methyl-1H-indole-6-carboxylic acid
• CAS No.: 73177-33-0
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.187
• DSSTox Substance ID: DTXSID50504609
• Wikidata: Q82359215
• Mol file: 73177-33-0.mol

Synonyms:2-Methyl-1H-indole-6-carboxylic acid;73177-33-0;1H-?Indole-?6-?carboxylic acid, 2-?methyl-;SCHEMBL233323;methyl indole-6-carboxylic acid;AMY9413;DTXSID50504609;DTOBYAWCBMAUQH-UHFFFAOYSA-N;YCA17733;MFCD13178486;2-Methyl-1H-indole-6-carboxylicacid;AKOS016013523;SB14914;DS-15398;FT-0719770;EN300-248330;I11052;A866130

Chemical Property of 2-Methyl-1H-indole-6-carboxylic acid

Chemical Property:

• Boiling Point: 417.0±25.0 °C(Predicted)
• PKA: 4.52±0.30(Predicted)
• Density: 1.340±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-1H-indole-6-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(N1)C=C(C=C2)C(=O)O

Technology Process of 2-Methyl-1H-indole-6-carboxylic acid

There total 2 articles about 2-Methyl-1H-indole-6-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:

1-(4-carboxy-2-nitrophenyl)-2-nitropropene + pyrographite (7440-44-0) → 2-Methyl-6-carboxyindole (73177-33-0)

Guidance literature:

palladium on charcoal catalyst; In water; acetic acid; ethyl acetate;

Reference yield:

3-amino-4-chloro-benzoic acid (2840-28-0) + acetone (67-64-1) → 2-Methyl-6-carboxyindole (73177-33-0)

Guidance literature:

With potassium amide; tert-butyl alcohol; Yield given. Multistep reaction; 1.) Ammonia, 2.) irradiation, 12 h;

DOI:10.1021/jo01296a052

Reference yield:

((2R,6R)-2,6-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone hydrochloride + 2-Methyl-6-carboxyindole (73177-33-0) → ((2R,6R)-2,6-dimethyl-4-(2-methyl-1H-indole-6-carbonyl)piperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone

Guidance literature:

((2R,6R)-2,6-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone hydrochloride; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In dichloromethane; for 0.166667h;

2-Methyl-6-carboxyindole; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acsmedchemlett.0c00145

upstream raw materials:

3-amino-4-chloro-benzoic acid

acetone

pyrographite

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