2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro-

Base Information

• Chemical Name: 2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro-
• CAS No.: 120427-96-5
• Molecular Formula: C10H10BrNO
• Molecular Weight: 240.099
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID001263817
• Mol file: 120427-96-5.mol

Synonyms:4-(2-Bromoethyl)-1,3-dihydro-2H-indolin-2-one;2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro-;4-(2-bromoethyl)-1,3-dihydroindol-2-one;4-(2-BROMOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE;SCHEMBL1533696;4-(2'-BROMOETHYL)-1,3-DIHYDRO-2-INDOLINE-2-ONE;KJFSOQQZVCONSQ-UHFFFAOYSA-N;DTXSID001263817;BCP28375;AKOS005258765;FT-0656226;J-004337;4-(2'-BROMOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE

Chemical Property of 2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro-

Chemical Property:

• Melting Point: 153-155°C
• Boiling Point: 373.798 °C at 760 mmHg
• PKA: 14.05±0.20(Predicted)
• Flash Point: 179.867 °C
• PSA: 29.10000
• Density: 1.529 g/cm³
• LogP: 2.25660
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.99458
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Bromoethyl)-1,3-dihydro-2H-indolin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C=CC=C2NC1=O)CCBr
• Uses: 4-(2-BroMoethyl)-1,3-dihydro-2H-indolin-2-one can be used as a useful synthetic intermediate.

Technology Process of 2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro-

There total 20 articles about 2H-Indol-2-one, 4-(2-bromoethyl)-1,3-dihydro- 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: 95.0%

4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4) → 4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one (120427-96-5)

Guidance literature:

With sodium hypophosphite; palladium on activated charcoal; In ethyl acetate; for 0.583333h; Heating;

DOI:10.1002/jhet.5570320334

Reference yield:

sodium phosphinate hydrate + 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4) → 4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one (120427-96-5)

Guidance literature:

carbon palladium; In water;

Reference yield:

sodium phosphinate hydrate + pyrographite (7440-44-0) + palladium (7440-05-3) + 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4) → 4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one (120427-96-5)

Guidance literature:

In water;

upstream raw materials:

4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

2-(2-bromoethyl)benzaldehyde

2-(2-bromoethyl)-β-nitrostyrene

pyrographite

Downstream raw materials:

Ropinirole

4-ethylenyl-1,3-dihydro-2H-indol-2-one

4-(2'-hydroxyethyl)-1,3-dihydro-2H-indol-2-one

2-(2'-oxo-2,3-dihydro-4-indolyl)ethyl benzenesulphonate

Refernces

• 1、 Matera, Carlo,Quadri, Marta,Pelucchi, Silvia,De Amici, Marco,Dallanoce, Clelia. "A convenient synthesis of 4-(2-hydroxyethyl)indolin-2-one, a useful intermediate for the preparation of both dopamine receptor agonists and protein kinase inhibitors". . p. 1139 - 1144. Retrieved 2014/06/24.
• 2、 -. "Indolinone derivatives as protein kinase/phosphatase inhibitors". . . Retrieved 2008/06/13.