Ethyl 4-amino-1-methyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: Ethyl 4-amino-1-methyl-1H-indole-2-carboxylate
• CAS No.: 91119-15-2
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• DSSTox Substance ID: DTXSID90539596
• Wikidata: Q82415378
• Mol file: 91119-15-2.mol

Synonyms:ETHYL 4-AMINO-1-METHYL-1H-INDOLE-2-CARBOXYLATE;91119-15-2;SCHEMBL7873379;DTXSID90539596;DGWXASOSEWWKAC-UHFFFAOYSA-N;ethyl 4-amino-1-methyl-2-indolecarboxylate

Chemical Property of Ethyl 4-amino-1-methyl-1H-indole-2-carboxylate

Chemical Property:

• PSA: 57.25000
• LogP: 2.51840
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

ETHYL-4-AMINO-1-METHYL-1H-INDOLE-2-CARBOXYLATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=CC=C2N1C)N

Technology Process of Ethyl 4-amino-1-methyl-1H-indole-2-carboxylate

There total 2 articles about Ethyl 4-amino-1-methyl-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: 77.0%

ethyl 1-methyl-4-nitro-2-indolecarboxylate (91119-29-8) → ethyl 4-amino-1-methyl-2-indolecarboxylate (91119-15-2)

Guidance literature:

nickel; In methanol; for 8h;

Reference yield:

4-nitro-1H-indole-2-carboxylic acid ethyl ester (4993-93-5) → ethyl 4-amino-1-methyl-2-indolecarboxylate (91119-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 9 g / K / dioxane / 1 h / Heating

2: 77 percent / Raney nickel / methanol / 8 h

With potassium; nickel; In 1,4-dioxane; methanol;

upstream raw materials:

ethyl 1-methyl-4-nitro-2-indolecarboxylate

4-nitro-1H-indole-2-carboxylic acid ethyl ester