1H-Indole-1-carboxylic acid, 3-methyl-

Base Information

• Chemical Name: 1H-Indole-1-carboxylic acid, 3-methyl-
• CAS No.: 65610-64-2
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• DSSTox Substance ID: DTXSID00388951
• Wikidata: Q82184233

Synonyms:1H-Indole-1-carboxylic acid, 3-methyl-;65610-64-2;3-methylindole-1-carboxylic Acid;Skatolcarbonsaure;SCHEMBL2594979;DTXSID00388951

Chemical Property of 1H-Indole-1-carboxylic acid, 3-methyl-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C2=CC=CC=C12)C(=O)O

Technology Process of 1H-Indole-1-carboxylic acid, 3-methyl-

There total 1 articles about 1H-Indole-1-carboxylic acid, 3-methyl- 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:

3-Methylindole (83-34-1) + carbon dioxide (124-38-9,18923-20-1) → 3-methyl-N-indolecarboxylic acid (65610-64-2)

Guidance literature:

3-Methylindole; With n-butyllithium; In tetrahydrofuran; hexane; at -70 ℃; for 0.333333h;

carbon dioxide; In tetrahydrofuran; hexane; at -70 - 20 ℃; for 0.5h; Further stages.;

DOI:10.1039/b709956h

Reference yield: 80.0%

3-methyl-N-indolecarboxylic acid (65610-64-2) + Benzyl isocyanide (88333-03-3,10340-91-7) + 4-nitrobenzaldehdye (555-16-8) + aniline (62-53-3) → N-(2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl)-3-methyl-N-phenyl-1H-indole-1-carboxamide

Guidance literature:

In methanol; dichloromethane; at 0 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01871

Reference yield: 79.0%

3,4-dihydroisoquinoline (3230-65-7) + 3-methyl-N-indolecarboxylic acid (65610-64-2) + Benzyl isocyanide (88333-03-3,10340-91-7) → N-benzyl-2-(3-methyl-1H-indole-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Guidance literature:

In methanol; dichloromethane; at 0 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01871

upstream raw materials:

3-Methylindole

carbon dioxide

Downstream raw materials:

3-Methylindole

diphenyl-2-(3-methylindolyl)phosphine

N-(2-(2,2-dibromovinyl)phenyl)-3-methyl-1H-indole-1-carboxamide

N-methoxy-3-methyl-2-phenyl-1H-indole-1-carboxamide

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