4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one

Base Information

• Chemical Name: 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one
• CAS No.: 120427-95-4
• Molecular Formula: C10H9BrClNO
• Molecular Weight: 274.545
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID00438662
• Mol file: 120427-95-4.mol

Synonyms:120427-95-4;4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one;4-(2-bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one;4-(2-bromoethyl)-3-chloro-1,3-dihydroindol-2-one;4-(2'-bromoethyl)-3-chloro-1,3-dihydro-2h-indole-2-one;2H-Indol-2-one, 4-(2-bromoethyl)-3-chloro-1,3-dihydro-;4-(2-bromoethyl)-3-chloro-indolin-2-one;4-(2/'-BROMOETHYL)-3-CHLORO-1,3-DIHYDRO-2H-INDOLE-2-ONE;4-(2-bromoethyl)-3-chloroindolin-2-one;4-(2'-Bromoethyl)-3-chloro-1,3-dihydro-2-indoline-2-one;SCHEMBL4623982;DTXSID00438662;FUHGGNYHOLHJRR-UHFFFAOYSA-N;BCP28376;MFCD09908189;AKOS015900583;SB64191;FT-0650160;4-(2-(Tert-Butoxycarbonylamino)ethoxy)benzoicacid;A804503;J-513280;4-(2-BROMOETHYL)-3-CHLORO-1H-INDOL-2(3H)-ONE;4-(2'-bromoethvl)-3-chloro-1,3-dihydro-2H-indol-2-one;4-(2'-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one

Chemical Property of 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 374.736 °C at 760 mmHg
• PKA: 12.08±0.40(Predicted)
• Flash Point: 180.434 °C
• PSA: 29.10000
• Density: 1.647 g/cm³
• LogP: 2.99400
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 272.95560
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C2C(C(=O)NC2=C1)Cl)CCBr

Technology Process of 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one

There total 8 articles about 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one 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: 83.9%

2-(2-bromoethyl)-β-nitrostyrene (120427-94-3) → 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4)

Guidance literature:

With iron(III) chloride; acetyl chloride; In dichloromethane; at 0 - 5 ℃; for 3h;

Reference yield: 60.0%

acetyl chloride (75-36-5) + 2-(2-bromoethyl)-β-nitrostyrene (120427-94-3) → 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4)

Guidance literature:

acetyl chloride; With iron(III) chloride; In dichloromethane; at 0 - 5 ℃; for 0.25h;

2-(2-bromoethyl)-β-nitrostyrene; In dichloromethane; at 5 ℃; for 1.5h;

With hydrogenchloride; In dichloromethane; water; for 0.5h;

Reference yield: 53.0%

2-(2-bromoethyl)-β-nitrostyrene (120427-94-3) → 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one (120427-95-4)

Guidance literature:

With iron(III) chloride; acetyl chloride; In dichloromethane; at 0 - 5 ℃; for 3h;

DOI:10.1002/jhet.5570320334

upstream raw materials:

2-(2-bromoethyl)-β-nitrostyrene

2-(2-bromoethyl)benzaldehyde

acetyl chloride

isochromane

Downstream raw materials:

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

Ropinirole

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

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