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

Base Information

• Chemical Name: methyl 2-methyl-1H-indole-4-carboxylate
• CAS No.: 34058-51-0
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.214
• DSSTox Substance ID: DTXSID90472131
• Nikkaji Number: J556.591J
• Wikidata: Q82300916
• Mol file: 34058-51-0.mol

Synonyms:methyl 2-methyl-1H-indole-4-carboxylate;34058-51-0;2-methyl-1H-indole-4-carboxylic acid methyl ester;MFCD18381251;SCHEMBL5851103;DTXSID90472131;UMXDBGWXIQPJKK-UHFFFAOYSA-N;AKOS025396217;SB14910;methyl2-methyl-1H-indole-4-carboxylate;AS-52696;SY099476;CS-0049161;FT-0714406;2-Methylindole-4-carboxylic Acid Methyl Ester;P15506

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

Chemical Property:

• PSA: 42.09000
• LogP: 2.26290
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-Methyl-1H-indole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=CC=C2N1)C(=O)OC

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

There total 16 articles about methyl 2-methyl-1H-indole-4-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: 100.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 2-methyl-1H-indol-4-yl trifluoromethanesulfonate (359585-96-9) → methyl 2-methyl-1H-indole-4-carboxylate (34058-51-0)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1016/j.bmc.2004.06.024

Reference yield: 100.0%

methanol (67-56-1) + carbon dioxide (124-38-9,18923-20-1) + 2-methyl-1H-indol-4-yl trifluoromethanesulfonate (359585-96-9) → methyl 2-methyl-1H-indole-4-carboxylate (34058-51-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In N,N-dimethyl-formamide; at 20 - 60 ℃;

DOI:10.1016/j.ejmech.2004.11.011

Reference yield: 95.0%

methanol (67-56-1) + 2-methyl-1H-indole-4-carboxylic acid (34058-50-9) → methyl 2-methyl-1H-indole-4-carboxylate (34058-51-0)

Guidance literature:

With sulfuric acid; at 65 ℃; for 18h;

upstream raw materials:

methyl 3-amino-2-ethenylbenzoate

trifluoroacetic acid 1-(1-methyl-1-ethenyl)-2-[3-(methoxycarbonyl)phenyl]hydrazide

methanol

carbon monoxide

Downstream raw materials:

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

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

1-(4-butoxybenzoyl)-2-methyl-1H-indole-4-carboxylic acid

benzyl 1-(4-butoxybenzoyl)-2-methyl-1H-indole-4-carboxylate

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