7-Amino-5-fluoroindolin-2-one

Name: 7-Amino-5-fluoroindolin-2-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 945381-62-4
Cat. No. CS-0150077
Molecule weight166.15
Purity≥95%
MDL No.MFCD13193359

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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-5-fluoroindolin-2-one|CS-0150077

Structure of 945381-62-4

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General Information

CAS No. 945381-62-4
Cat. No. CS-0150077
Purity ≥95%
MDL No. MFCD13193359
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇FN₂O
Molecular Weight 166.15
Synonym(s) 7-amino-5-fluoro-1,3-dihydroindol-2-one
SMILES FC=1C=C2CC(NC2=C(C1)N)=O

Description

7-Amino-5-fluoroindolin-2-one features a fused tricyclic core with strategic electron-withdrawing fluorine and nucleophilic amino substituents. This scaffold delivers enhanced metabolic stability and tunable polarity, enabling direct integration into bioactive small molecules. The para-amino group facilitates conjugation reactions, while the fluorine atom modulates electronic properties for targeted interactions in medicinal chemistry applications.

Application

7-Amino-5-fluoroindolin-2-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated indoline scaffolds prevalent in kinase inhibitors and CNS-targeted therapeutics. Its amine functionality facilitates straightforward derivatization via amidation or reductive amination, while the fluoro substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for high-throughput screening campaigns and process-scale synthesis.

Synthesis

Route1
- 1082990-05-3
- ~96%
- In-stock
  
  945381-62-4
References
- Shanghai Hengrui Pharmaceutical Co. Ltd. Patent: EP2157093 A1, 2010 ; Location in patent: Page/Page column 51 ;
Route2
- In-stock
  
  56341-41-4
- ~61%
- In-stock
  
  945381-62-4
References
- Tang, Peng Cho; Su, Yidong; Zhang, Lei; Xiao, Lu Patent: US2010/4239 A1, 2010 ; Location in patent: Page/Page column 56-57 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 55.12
LogP 0.9025
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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7-Amino-5-fluoroindolin-2-one

CAS No. 945381-62-4

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