(4-Bromophenyl)(indolin-7-yl)methanone

Base Information

• Chemical Name: (4-Bromophenyl)(indolin-7-yl)methanone
• CAS No.: 91714-41-9
• Molecular Formula: C15H12BrNO
• Molecular Weight: 302.17
• UNII: 726V4K49R2
• Nikkaji Number: J2.054.990D
• Mol file: 91714-41-9.mol

Synonyms:(4-bromophenyl)(indolin-7-yl)methanone;91714-41-9;7-(4-Bromobenzoyl)-2,3-dihydro-1H-indole;(4-bromophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone;Bromfenac Impurity 7;BCP33995;AKOS000280115;726V4K49R2;(4-Bromophenyl)(2,3-dihydro-1H-indol-7-yl)methanone;Methanone, (4-bromophenyl)(2,3-dihydro-1H-indol-7-yl)-

Chemical Property of (4-Bromophenyl)(indolin-7-yl)methanone

Chemical Property:

• PSA: 29.10000
• LogP: 3.98050
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 301.01023
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

98% ^*data from raw suppliers

(4-BROMOPHENYL)-(2,3-DIHYDRO-1H-INDOL-7-YL)-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=CC=C2C(=O)C3=CC=C(C=C3)Br
• Uses: (4-Bromophenyl)(indolin-7-yl)methanone is used as a reactant in the preparation of 2-?amino-?3-?benzoylphenylacetic acid and analogs.

Technology Process of (4-Bromophenyl)(indolin-7-yl)methanone

There total 2 articles about (4-Bromophenyl)(indolin-7-yl)methanone 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: 61.0%

→ (4-bromophenyl)(2,3-dihydro-1H-indol-7-yl)methanone (91714-41-9)

Guidance literature:

Reference yield:

1-indoline (496-15-1) + 4-bromobenzenecarbonitrile (623-00-7) → (4-bromophenyl)(2,3-dihydro-1H-indol-7-yl)methanone (91714-41-9)

Guidance literature:

With hydrogenchloride; aluminium trichloride; boron trichloride; Yield given. Multistep reaction; 1.) toluene, reflux, 20 h, 2.) toluene, reflux, 2.5 h;

DOI:10.1021/jm00377a001

Reference yield: 89.0%

(4-bromophenyl)(2,3-dihydro-1H-indol-7-yl)methanone (91714-41-9) → (5-bromo-2,3-dihydro-1H-indol-7-yl)(4-bromophenyl)methanone (91714-47-5)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00377a001

upstream raw materials:

1-indoline

4-bromobenzenecarbonitrile

Downstream raw materials:

7-(4-bromobenzoyl)-1-hydro-indole

(4-Bromo-phenyl)-(5-chloro-2,3-dihydro-1H-indol-7-yl)-methanone

(5-bromo-2,3-dihydro-1H-indol-7-yl)(4-bromophenyl)methanone

(4-bromo-phenyl)-(1-ethyl-1H-indol-7-yl)-methanone

Refernces

• 1、 Marchand, Pascal,Le Borgne, Marc,Palzer, Martina,Le Baut, Guillaume,Hartmann, Rolf W.. "Preparation and pharmacological profile of 7-(α-azolylbenzyl)-1H-indoles and indolines as new aromatase inhibitors". . p. 1553 - 1555. Retrieved 2007/10/03.