methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

Base Information

Chemical Name:methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
CAS No.:5790-97-6
Molecular Formula:C14H9N3O3
Molecular Weight:267.2396
Hs Code.:
DSSTox Substance ID:DTXSID90351518
Wikidata:Q82127990

Synonyms:5790-97-6;methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate;CBMicro_033236;Oprea1_865489;Oprea1_868541;DTXSID90351518;STK024418;AKOS000544333;BIM-0033266.P001;METHYL 2-[3-(DICYANOMETHYLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETATE

Suppliers and Price of methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

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
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Total 0 raw suppliers

Chemical Property of methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

Chemical Property:

Vapor Pressure:1.49E-06mmHg at 25°C
Boiling Point:398.3°Cat760mmHg
Flash Point:194.7°C
Density:1.389g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:267.06439116
Heavy Atom Count:20
Complexity:557

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CN1C2=CC=CC=C2C(=C(C#N)C#N)C1=O

Technology Process of methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

There total 4 articles about methyl [3-(dicyanomethylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate 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: 84.0%

: 107-10-8,42939-71-9
propylamine

: 1374302-96-1
C₈H₅Cl₂IO₂

: 5790-97-6
6-chloro-4-propyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,4-dioxane; at 100 ℃; for 28h; Inert atmosphere;
DOI:10.3998/ark.5550190.0013.612

Reference yield: 65.0%

: 107-10-8,42939-71-9
propylamine

: 1374302-99-4
C₈H₅BrCl₂O₂

: 5790-97-6
6-chloro-4-propyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,4-dioxane; at 100 ℃; for 36h; Inert atmosphere;
DOI:10.3998/ark.5550190.0013.612

Reference yield:

: 71643-66-8
4-chloro-2-iodo phenol

: 5790-97-6
6-chloro-4-propyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 90 °C / Inert atmosphere

2: thionyl chloride / chloroform / 70 °C / Inert atmosphere

3: copper(l) iodide; 1,10-Phenanthroline; caesium carbonate / 1,4-dioxane / 28 h / 100 °C / Inert atmosphere

With copper(l) iodide; thionyl chloride; 1,10-Phenanthroline; potassium carbonate; caesium carbonate; In 1,4-dioxane; chloroform; N,N-dimethyl-formamide;
DOI:10.3998/ark.5550190.0013.612