Methyl 2,3-dimethyl-1H-indole-5-carboxylate

Base Information

• Chemical Name: Methyl 2,3-dimethyl-1H-indole-5-carboxylate
• CAS No.: 21987-27-9
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.23700
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00462987
• Nikkaji Number: J1.943.903H
• Wikidata: Q82287675
• Mol file: 21987-27-9.mol

Synonyms:Methyl 2,3-dimethyl-1H-indole-5-carboxylate;21987-27-9;1H-Indole-5-carboxylic acid, 2,3-dimethyl-, methyl ester;Methyl 2,3-Dimethylindole-5-carboxylate;MFCD06520938;2,3-dimethyl-1H-indole-5-carboxylic acid methyl ester;SCHEMBL18941101;DTXSID00462987;AKOS002314616;DS-15617;SY032054;AM20030365;CS-0153593;FT-0688413;Methyl2,3-dimethyl-1H-indole-5-carboxylate;methyl 2, 3-dimethyl-1H-indole-5-carboxylate;Y10613

Chemical Property of Methyl 2,3-dimethyl-1H-indole-5-carboxylate

Chemical Property:

• PSA: 42.09000
• LogP: 2.57130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

methyl2,3-dimethyl-1H-indole-5-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)OC)C

Technology Process of Methyl 2,3-dimethyl-1H-indole-5-carboxylate

There total 5 articles about Methyl 2,3-dimethyl-1H-indole-5-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: 98.0%

methanol (67-56-1) + 2,3-dimethyl-1H-indole-5-carboxylic acid (14844-73-6) → 2,3-dimethyl-1H-indole-5-carboxylic acid methyl ester (21987-27-9)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield: 95.0%

→ 2,3-dimethyl-1H-indole-5-carboxylic acid methyl ester (21987-27-9)

Guidance literature:

pentacarbonyl(1-[N-(4-methoxycarbonyl-2-ethenylphenyl)amino]ethylidene)chromium; In acetonitrile; for 6h; Heating;

With air; for 12h;

DOI:10.1016/j.tet.2003.09.028

Reference yield: 91.0%

2,3-dimethyl-1H-indole-5-carboxylic acid (14844-73-6) + diazomethyl-trimethyl-silane (18107-18-1) → 2,3-dimethyl-1H-indole-5-carboxylic acid methyl ester (21987-27-9)

Guidance literature:

With methanol; In hexane; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2007.09.019

upstream raw materials:

methanol

4-nitro-benzoic acid

2,3-dimethyl-1H-indole-5-carboxylic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

1-ethyl-2,3-dimethylindole-5-carboxylic acid