5-bromo-1-ethyl-1H-indole-2,3-dione

Base Information

• Chemical Name: 5-bromo-1-ethyl-1H-indole-2,3-dione
• CAS No.: 69736-76-1
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• DSSTox Substance ID: DTXSID60364458
• Nikkaji Number: J1.376.358E
• Wikidata: Q82148428
• Mol file: 69736-76-1.mol

Synonyms:69736-76-1;5-bromo-1-ethyl-1H-indole-2,3-dione;5-bromo-1-ethyl-2,3-dihydro-1H-indole-2,3-dione;5-bromo-1-ethylindole-2,3-dione;5-bromo-1-ethylindoline-2,3-dione;5-bromo-N-ethylisatin;CBMicro_033913;SCHEMBL22667286;DTXSID60364458;1-Ethyl-5-bromo-2,3-indolinedione;MFCD01183651;STK003590;AKOS000245307;CCG-105181;MS-2627;SB65619;BIM-0033824.P001;EN300-116623;SR-01000416106;SR-01000416106-1;F0918-0520;Z199468108

Chemical Property of 5-bromo-1-ethyl-1H-indole-2,3-dione

Chemical Property:

• Boiling Point: 371.4±44.0 °C(Predicted)
• PKA: -3.33±0.20(Predicted)
• PSA: 37.38000
• Density: 1.625±0.06 g/cm3(Predicted)
• LogP: 2.06330
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Bromo-1-ethyl-2,3-dihydro-1H-indole-2,3-dione 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-bromo-1-ethyl-1H-indole-2,3-dione

There total 16 articles about 5-bromo-1-ethyl-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: 97.0%

5-Bromo-1H-indole-2,3-dione (87-48-9) → 5-bromo-N-ethylisatin (69736-76-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.ejmech.2010.07.020

Reference yield: 77.0%

5-Bromo-1H-indole-2,3-dione (87-48-9) + ethyl iodide (75-03-6) → 5-bromo-N-ethylisatin (69736-76-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

Reference yield: 76.0%

1-(5-bromo-2-(ethylamino)phenyl)ethanone → 5-bromo-N-ethylisatin (69736-76-1)

Guidance literature:

With tert-butyl hydroxyperoxide; iodine; In water; dimethyl sulfoxide; at 20 - 80 ℃; for 7.5h;

DOI:10.1021/jo500550d

upstream raw materials:

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

5-bromo-1-ethyl-2-indolinone

1-ethyl-1,3-dihydro-2H-indol-2-one

ethyl iodide

Downstream raw materials:

9-bromo-6-ethyl-2,3-difluoro-6H-indolo[2,3-b]quinoxaline

10'-amino-5-bromo-1,2-dihydro-1-ethyl-2,7'-dioxospiro[3H-indole-3,8'(7H,8H)-phenaleno[1,2-b]pyran]-9'-carbonitrile

3-(5-amino-1,3-diphenyl-1H-pyrazol-4-yl)-5-bromo-1-ethyl-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)indolin-2-one

5-bromo-1-ethyl-5'-(2-hydroxybenzoyl)-1',3'-diphenyl-5',7'-dihydrospiro[indoline-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1'H)-dione