Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate
• CAS No.: 91844-20-1
• Molecular Formula: C12H12BrNO2
• Molecular Weight: 282.137
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30469848
• Nikkaji Number: J2.770.402F
• Wikidata: Q82297745
• Mol file: 91844-20-1.mol

Synonyms:Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate;91844-20-1;ethyl 5-bromo-1-methylindole-2-carboxylate;SCHEMBL1096993;DTXSID30469848;RLEUBLNVHZTFOH-UHFFFAOYSA-N;MFCD09027165;AKOS005073149;AT32176;KA-0922;AM20041408;FT-0708273;J-521113;5-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate

Chemical Property:

• Melting Point: 83～85℃
• PSA: 31.23000
• LogP: 3.11750
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 281.00514
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl5-Bromo-1-methyl-1H-indole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)Br
• Uses: Ethyl 5-Bromo-1-methyl-1H-indole-2-carboxylate is a useful reactant for copper-catalyzed cross-coupling of indoles with H-phosphinate.

Technology Process of Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate

There total 5 articles about Ethyl 5-bromo-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: 88.0%

ethyl 5-bromoindolecarboxylate (16732-70-0) + methyl iodide (74-88-4) → 5-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester (91844-20-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;

Reference yield:

methyl iodide (74-88-4) → 5-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester (91844-20-1)

Guidance literature:

ethyl 5-bromoindolecarboxylate; With sodium hydride; In N,N-dimethyl-formamide; for 0.25h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

Reference yield:

ethyl 5-bromoindolecarboxylate (16732-70-0) → 5-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester (91844-20-1)

Guidance literature:

ethyl 5-bromoindolecarboxylate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.333333h; Inert atmosphere;

methyl halide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00652

upstream raw materials:

methyl iodide

ethyl 5-bromoindolecarboxylate

methyl bromide

Downstream raw materials:

5-(6-(2-(2,4-dichlorophenyl)ethylamino)-2-methoxy-pyrimidin-4-yl)-1-methyl-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester

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