Methyl 1-methyl-1H-indole-5-carboxylate

Base Information

• Chemical Name: Methyl 1-methyl-1H-indole-5-carboxylate
• CAS No.: 128742-76-7
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.214
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80443375
• Wikidata: Q82261142
• Mol file: 128742-76-7.mol

Synonyms:Methyl 1-methyl-1H-indole-5-carboxylate;128742-76-7;Methyl 1-methylindole-5-carboxylate;Methyl 1-Methyl-5-indolecarboxylate;1H-Indole-5-carboxylic acid, 1-methyl-, methyl ester;MFCD11977801;SCHEMBL108632;DTXSID80443375;VJJMGOYLSMSMCD-UHFFFAOYSA-N;AKOS015999425;Methyl1-methyl-1H-indole-5-carboxylate;BL010116;SY022475;TS-02670;CS-0042592;FT-0699405;1-methyl-1H-indole-5-carboxylic acid methyl ester;A888975

Chemical Property of Methyl 1-methyl-1H-indole-5-carboxylate

Chemical Property:

• PSA: 31.23000
• LogP: 1.96490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-Methyl-1H-indole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=C1C=CC(=C2)C(=O)OC
• Uses: methyl 1-methyl-1h-indole-5-carboxylate is a useful reactant for the synthesis of bisindolylmethanes from indoles and ethers electrochemically.

Technology Process of Methyl 1-methyl-1H-indole-5-carboxylate

There total 14 articles about Methyl 1-methyl-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: 97.0%

5-methoxycarbonylindole (1011-65-0) + methyl iodide (74-88-4) → methyl 1-methyl-1H-indole-5-carboxylate (128742-76-7)

Guidance literature:

5-methoxycarbonylindole; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 ℃; for 0.333333h;

methyl iodide; In DMF (N,N-dimethyl-formamide); for 4h;

Reference yield: 97.0%

1H-Indole-5-carboxylic acid (1670-81-1,142396-03-0) + methyl iodide (74-88-4) → methyl 1-methyl-1H-indole-5-carboxylate (128742-76-7)

Guidance literature:

1H-Indole-5-carboxylic acid; With sodium hydride; In N,N-dimethyl-formamide; for 0.416667h;

methyl iodide; In N,N-dimethyl-formamide; for 18h; Further stages.;

DOI:10.1021/jm010231w

Reference yield: 93.0%

→ methyl 1-methyl-1H-indole-5-carboxylate (128742-76-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 50 ℃; for 8h;

upstream raw materials:

5-methoxycarbonylindole

methyl iodide

1H-Indole-5-carboxylic acid

methyl 4-((2-bromo-2-((2,4,6-trichlorophenoxy)sulfonyl)ethyl)(methyl)amino)benzoate

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