1-Ethyl-5-fluoro-1h-indole-2,3-dione

Base Information

• Chemical Name: 1-Ethyl-5-fluoro-1h-indole-2,3-dione
• CAS No.: 776-47-6
• Molecular Formula: C10H8FNO2
• Molecular Weight: 193.177
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30406091
• Wikidata: Q82210969
• ChEMBL ID: CHEMBL5176828
• Mol file: 776-47-6.mol

Synonyms:776-47-6;1-ethyl-5-fluoro-1h-indole-2,3-dione;1-ethyl-5-fluoroindole-2,3-dione;1-Ethyl-5-fluoroindoline-2,3-dione;1H-Indole-2,3-dione, 1-ethyl-5-fluoro-;CHEMBL5176828;SCHEMBL20254404;DTXSID30406091;MFCD06496384;AKOS000246458;SB65606;BS-35941;CS-0363945

Chemical Property of 1-Ethyl-5-fluoro-1h-indole-2,3-dione

Chemical Property:

• Vapor Pressure: 0.000346mmHg at 25°C
• Boiling Point: 319.1oC at 760 mmHg
• Flash Point: 146.8oC
• PSA: 37.38000
• Density: 1.338g/cm3
• LogP: 1.43990
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.05390666
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

98% ^*data from raw suppliers

1-Ethyl-5-fluoroindoline-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)F)C(=O)C1=O

Technology Process of 1-Ethyl-5-fluoro-1h-indole-2,3-dione

There total 7 articles about 1-Ethyl-5-fluoro-1h-indole-2,3-dione 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: 80.0%

5-fluoro-1H-indole-2,3-dione (443-69-6) + ethyl iodide (75-03-6) → 5-fluoro-1-ethyl-1H-indole-2,3-dione (776-47-6)

Guidance literature:

5-fluoro-1H-indole-2,3-dione; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h; Inert atmosphere;

ethyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.dyepig.2019.03.025

Reference yield:

ethyl bromide (74-96-4) + 5-fluoro-1H-indole-2,3-dione (443-69-6) → 5-fluoro-1-ethyl-1H-indole-2,3-dione (776-47-6)

Guidance literature:

5-fluoro-1H-indole-2,3-dione; With sodium hydride; In N,N-dimethyl-formamide;

ethyl bromide; In N,N-dimethyl-formamide; at 60 - 65 ℃; for 1h;

DOI:10.1016/j.ejmech.2013.04.040

Reference yield:

5-fluoro-1H-indole-2,3-dione (443-69-6) + chloroethane (75-00-3) → 5-fluoro-1-ethyl-1H-indole-2,3-dione (776-47-6)

Guidance literature:

5-fluoro-1H-indole-2,3-dione; In N,N-dimethyl-formamide; for 0.75h; Alkaline conditions;

chloroethane; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.14233/ajchem.2021.23271

upstream raw materials:

5-fluoro-1H-indole-2,3-dione

ethyl bromide

ethyl iodide

4-fluoroaniline

Downstream raw materials:

2-(ethylamino)-5-fluorobenzoic acid

Refernces

• 1、 Chen, Qifa,Teng, Yue,Xu, Fan. "Lanthanide Silylamide-Catalyzed Synthesis of Pyrano[2,3- b]indol-2-ones". supporting information. p. 4785 - 4790. Retrieved 2021/06/28.
• 2、 BAYYA, CHANDRAPRAKASH,MANDA, SARANGAPANI. "Synthesis, characterization and anticancer activity of (5,1-substituted)-3-(indoline-4-(thiophene- 2-yl-methylene)-2-(p-tolyl)-2-methylene)-4,3-dihydro-1h-imidazole-5-one derivatives". . p. 2027 - 2032. Retrieved 2021/08/24.