ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate

Base Information

Chemical Name:ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate
CAS No.:111478-90-1
Molecular Formula:C14H15 N O3
Molecular Weight:245.27
Hs Code.:
DSSTox Substance ID:DTXSID20554277
Wikidata:Q82435214
Mol file:111478-90-1.mol

Synonyms:111478-90-1;ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate;7-ETHYLINDOLE-3-GLYOXYLIC ACID ETHYL ESTER;Ethyl (7-ethyl-1H-indol-3-yl)(oxo)acetate;SCHEMBL10675123;DTXSID20554277;GNBNYDFJCJIVKD-UHFFFAOYSA-N;AKOS006022219;SS-5160;CS-0339362;ethyl2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate;7-Ethyl-alpha-oxo-1H-indole-3-acetic Acid Ethyl Ester;7-Ethylindole-3-glyoxylic acid ethyl ester, AldrichCPR

Suppliers and Price of ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
7-Ethylindole-3-glyoxylicAcidEthylEster
100mg
$ 110.00

American Custom Chemicals Corporation
ETHYL-7-ETHYLINDOLE-3-GLYOXYLATE 98.00%
5MG
$ 500.90

AHH
7-Ethylindole-3-glyoxylicacidethylester 98%
1g
$ 345.00

Total 1 raw suppliers

Chemical Property of ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate

Chemical Property:

Melting Point:152-154 °C
Boiling Point:414.0±25.0 °C(Predicted)
PKA:14.88±0.30(Predicted)
PSA：59.16000
Density:1.209±0.06 g/cm3(Predicted)
LogP:2.47610
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:245.10519334
Heavy Atom Count:18
Complexity:329

Purity/Quality:: 7-Ethylindole-3-glyoxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C2C(=CC=C1)C(=CN2)C(=O)C(=O)OCC

Technology Process of ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate

There total 2 articles about ethyl 2-(7-ethyl-1H-indol-3-yl)-2-oxoacetate 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: 70.0%

: 22867-74-9
7-ethyl-1H-indole

: 79-37-8
oxalyl dichloride

: 111478-90-1
7-ethyl-α-oxo-1H-indole-3-acetic acid ethyl ester

Guidance literature:: In ethanol;

Reference yield:

: 22867-74-9
7-ethyl-1H-indole

: 79-37-8
oxalyl dichloride

: 64-17-5
ethanol

: 111478-90-1
7-ethyl-α-oxo-1H-indole-3-acetic acid ethyl ester

Guidance literature:: Yield given. Multistep reaction; 1.) Et₂O, 0 deg C, 2 h, 2.) heating;
DOI:10.1021/jm00117a009

Reference yield:

: 111478-90-1
7-ethyl-α-oxo-1H-indole-3-acetic acid ethyl ester

: 4-ureidoetodolac benzylamine salt

Guidance literature:: Multi-step reaction with 9 steps

1: 75 percent / hydroxylamine hydrochloride, NaOAc / ethanol; H₂O / 12 h / Heating

2: 87 percent / hydrogen, conc. HCl / 10percent Pd/C / ethanol / 4 h / 22 °C

3: 85.7 percent / LiAlH₄ / tetrahydrofuran / 2 h / Heating

4: 98 percent / H₂O / 16 h

5: 90 percent / 5percent aq. K₂CO₃ / methanol / 2 h / 55 °C

6: 62.3 percent / boron trifluoride etherate / CH₂Cl₂ / 24 h / 22 °C

7: 50 percent / 1 N methanolic HCl / 72 h / 25 °C

8: 57 percent / 1 N aq. HCl / ethanol / 2 h / Ambient temperature

9: 1.) K₂CO₃ / 1.) MeOH, H₂O, reflux, 18 h, 2.) Et₂O, EtOAc

With hydrogenchloride; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; hydroxylamine hydrochloride; hydrogen; sodium acetate; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water;
DOI:10.1021/jm00117a009