1H-Indole-2-acetic acid, 1-methyl-, ethyl ester

Base Information

Chemical Name:1H-Indole-2-acetic acid, 1-methyl-, ethyl ester
CAS No.:57666-10-1
Molecular Formula:C13H15NO2
Molecular Weight:217.26400
Hs Code.:
DSSTox Substance ID:DTXSID00481653
Wikidata:Q82317183

Synonyms:1H-Indole-2-acetic acid, 1-methyl-, ethyl ester;57666-10-1;SCHEMBL7298529;DTXSID00481653;BRJGIYQJMHBKBY-UHFFFAOYSA-N;ethyl 1-methyl-1H-indole-2-acetate

Suppliers and Price of 1H-Indole-2-acetic acid, 1-methyl-, ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Indole-2-acetic acid, 1-methyl-, ethyl ester

Chemical Property:

Melting Point:49 °C(Solv: hexane (110-54-3))
Boiling Point:346.6±17.0 °C(Predicted)
PSA：31.23000
Density:1.09±0.1 g/cm3(Predicted)
LogP:2.28390
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:254

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=CC2=CC=CC=C2N1C

Technology Process of 1H-Indole-2-acetic acid, 1-methyl-, ethyl ester

There total 2 articles about 1H-Indole-2-acetic acid, 1-methyl-, ethyl ester 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: 55.0%

: 623-73-4
diazoacetic acid ethyl ester

: 603-76-9
1-methylindole

: 56999-62-3
ethyl 2-(1-methyl-1H-indol-3-yl)acetate

: 57666-10-1
1-methyl-1H-indole-2-acetic acid ethyl ester

Guidance literature:: With C₃₃H₂₈NNiO₃P; In toluene; at 0 - 100 ℃; for 24.3333h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.0c02138

Reference yield:

: 120-72-9
indole

: 56999-62-3
ethyl 2-(1-methyl-1H-indol-3-yl)acetate

: 57666-10-1
1-methyl-1H-indole-2-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C / Schlenk technique; Inert atmosphere

1.2: 0 - 20 °C / Schlenk technique; Inert atmosphere

2.1: C₃₃H₂₈NNiO₃P / toluene / 24.33 h / 0 - 100 °C / Schlenk technique; Inert atmosphere

With C₃₃H₂₈NNiO₃P; sodium hydride; In N,N-dimethyl-formamide; toluene;
DOI:10.1021/acs.orglett.0c02138

Reference yield: 85.0%

: 57666-10-1
1-methyl-1H-indole-2-acetic acid ethyl ester

: 611-74-5
N,N-dimethylbenzamide

: 104703-16-4
Ethyl 2-(3-Benzoyl-1-methylindole)acetate

Guidance literature:: With trichlorophosphate; In 1,4-dioxane; for 3.75h; 1.) 8 - 10 deg C, 45 min 2.) 60 deg C, 3 h;
DOI:10.1002/jhet.5570220565