ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

Base Information

Chemical Name:ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate
CAS No.:54904-12-0
Molecular Formula:C16H18ClNO4
Molecular Weight:323.7714
Hs Code.:
NSC Number:190678
DSSTox Substance ID:DTXSID40307308
Wikidata:Q82054683

Synonyms:54904-12-0;ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate;NSC190678;MFCD32632813;Ethyl5-Chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate;SCHEMBL15622511;DTXSID40307308;AC8472;NSC-190678;SY265392

Suppliers and Price of ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

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

Total 5 raw suppliers

Chemical Property of ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

Chemical Property:

Vapor Pressure:1.53E-09mmHg at 25°C
Boiling Point:484.5°C at 760 mmHg
Flash Point:246.8°C
Density:1.274g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:323.0924357
Heavy Atom Count:22
Complexity:404

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC

Technology Process of ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

There total 7 articles about ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-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: 87.0%

: 64-17-5
ethanol

: 54904-05-1
5-(2-(4-chlorophenyl)hydrazono)-6-ethoxy-6-oxohexanoic acid

: 54904-12-0
ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

Guidance literature:: With hydrogenchloride; 1.) overnight, 2.) reflux, 90 min, 3.) room temp., 3 h, 4.) reflux;

Reference yield: 70.0%

: diethyl (E)-2-[2-(4-chlorophenyl)hydrazono]hexanedioate

: 54904-12-0
ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

Guidance literature:: With toluene-4-sulfonic acid; In benzene; at 110 ℃; for 24h;
DOI:10.1002/chem.202001725

Reference yield:

: 611-10-9
2-ethoxycarbonyl-1-cyclopentanone

: 54904-12-0
ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaNO₂, conc. HCl, 2.) CH₃COONa / 1.) water, 0-5 deg C, 2.) 0 deg C

2: 87 percent / HCl / 1.) overnight, 2.) reflux, 90 min, 3.) room temp., 3 h, 4.) reflux

With hydrogenchloride; sodium acetate; sodium nitrite;