Methyl 5-amino-1H-indole-2-carboxylate

Base Information

• Chemical Name: Methyl 5-amino-1H-indole-2-carboxylate
• CAS No.: 147539-80-8
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.202
• European Community (EC) Number: 872-001-1
• DSSTox Substance ID: DTXSID10438173
• Nikkaji Number: J1.475.767H
• Wikidata: Q82253821
• Mol file: 147539-80-8.mol

Synonyms:Methyl 5-amino-1H-indole-2-carboxylate;147539-80-8;5-Amino-2-indolecarboxylic acid methyl ester;SCHEMBL617200;1H-Indole-2-carboxylic acid, 5-amino-, methyl ester;DTXSID10438173;KRPDKDKJKIBCBX-UHFFFAOYSA-N;ZB1404;AKOS006284745;Methyl5-amino-1H-indole-2-carboxylate;CS-0216159;FT-0737355;5-amino-1H-indole-carboxylic acid methyl ester;EN300-3488608;5-Amino-1H-indole-2-carboxylic acid methyl ester;Z1198176483

Chemical Property of Methyl 5-amino-1H-indole-2-carboxylate

Chemical Property:

• PSA: 68.11000
• LogP: 2.11790
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-Amino-2-indolecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(N1)C=CC(=C2)N

Technology Process of Methyl 5-amino-1H-indole-2-carboxylate

There total 3 articles about Methyl 5-amino-1H-indole-2-carboxylate 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: 99.0%

5-nitro-1H-indole-2-carboxylic acid methyl ester (157649-56-4) → methyl 5-aminoindole-2-carboxylate (147539-80-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 4h; under 2844.39 Torr;

DOI:10.1007/s12272-011-0302-1

Reference yield:

methyl 2-azido-3-(3-nitrophenyl)acrylate (98092-65-0) → methyl 5-aminoindole-2-carboxylate (147539-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux

2: palladium 10% on activated carbon; hydrogen / methanol / 4 h / 2844.39 Torr

With palladium 10% on activated carbon; hydrogen; In methanol; 5,5-dimethyl-1,3-cyclohexadiene;

DOI:10.1007/s12272-011-0302-1

Reference yield:

3-nitro-benzaldehyde (99-61-6) → methyl 5-aminoindole-2-carboxylate (147539-80-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium / methanol / 12 h / -20 - 0 °C

2: 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux

3: palladium 10% on activated carbon; hydrogen / methanol / 4 h / 2844.39 Torr

With palladium 10% on activated carbon; hydrogen; sodium; In methanol; 5,5-dimethyl-1,3-cyclohexadiene;

DOI:10.1007/s12272-011-0302-1

upstream raw materials:

methyl 2-azido-3-(3-nitrophenyl)acrylate

3-nitro-benzaldehyde

5-nitro-1H-indole-2-carboxylic acid methyl ester

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