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

Base Information

• Chemical Name: Ethyl 4-methyl-1H-indole-2-carboxylate
• CAS No.: 16732-80-2
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30501494
• Nikkaji Number: J769.707D
• Wikidata: Q82353891
• Mol file: 16732-80-2.mol

Synonyms:Ethyl 4-methyl-1H-indole-2-carboxylate;16732-80-2;ETHYL 4-METHYLINDOLE-2-CARBOXYLATE;1H-Indole-2-carboxylic acid, 4-methyl-, ethyl ester;MFCD00981705;Ethyl4-methyl-1H-indole-2-carboxylate;SCHEMBL701020;AMY1999;DTXSID30501494;ZUJVXCIAKURESZ-UHFFFAOYSA-N;AKOS009165456;DS-17796;SY034647;CS-0042883;FT-0759461;O11796;A882250

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

Chemical Property:

• PSA: 42.09000
• LogP: 2.65300
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

ETHYL4-METHYLINDOLE-2-CARBOXYLATE 95 ^*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=C2N1)C

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

There total 15 articles about Ethyl 4-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: 97.0%

azide (24512-97-8) → 4-methyl-1H-indole-2-carboxylic acid ethyl ester (16732-80-2)

Guidance literature:

In toluene; Heating;

DOI:10.1039/c39820000003

Reference yield: 94.0%

4-methylindole-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester (796069-22-2) → 4-methyl-1H-indole-2-carboxylic acid ethyl ester (16732-80-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 75.0%

ethyl 2-azido-3-(2-methylphenyl)propenoate (81803-45-4) → 4-methyl-1H-indole-2-carboxylic acid ethyl ester (16732-80-2)

Guidance literature:

With zirconium(IV) chloride; silver nitrate; In 1,2-dichloro-ethane; at 15 ℃; for 0.05h;

DOI:10.1039/c4ra02158d

upstream raw materials:

4-methyl-1H-indole-2-carboxylic acid

ethanol

azide

ethyl 2-azido-3-(2-methylphenyl)propenoate

Downstream raw materials:

4-monomethylindolecarboxaldehyde

5-bromo-4-methyl-1H-indole-2-carboxylic acid

1-(3-carbamimidoyl-benzyl)-4-methyl-1H-indole-2-carboxylic acid 3-carbamimidoyl-benzylamide

4-methyl-1H-indole-2-carboxylic acid