7-Amino-4-bromoisoindolin-1-one

Name: 7-Amino-4-bromoisoindolin-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 169045-01-6
Cat. No. CS-0107286
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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7-Amino-4-bromoisoindolin-1-one|CS-0107286

Structure of 169045-01-6

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General Information

CAS No. 169045-01-6
Cat. No. CS-0107286
Purity ≥96%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrN₂O
Molecular Weight 227.06
Synonym(s) 7-Amino-4-bromo-2,3-dihydro-isoindol-1-one
SMILES O=C1NCC2=C1C(N)=CC=C2Br

Description

7-Amino-4-bromoisoindolin-1-one features a brominated isoindolinone core with a strategically positioned amino group, enabling direct functionalization in synthetic routes. This electron-deficient scaffold serves as a key intermediate in medicinal chemistry, particularly for kinase inhibitor scaffolds and fluorescent probe development. The molecule exhibits robust stability under standard bench conditions and integrates readily into diverse coupling reactions.

Application

7-Amino-4-bromoisoindolin-1-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at both the amino and bromo sites. The electron-rich amine facilitates nucleophilic substitution and coupling reactions, while the bromo group supports palladium-catalyzed cross-coupling transformations. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for modular synthesis of bioactive heterocycles and API intermediates.

Synthesis

Route1
- 866767-11-5
- ~73%
- In-stock
  
  169045-01-6
References
- Kyowa Hakko Kirin Co., Ltd. Patent: EP2108642 A1, 2009 ; Location in patent: Page/Page column 106-107 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 55.12
LogP 1.2747
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Cancer P53

Key Words

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7-Amino-4-bromoisoindolin-1-one

CAS No. 169045-01-6

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