Methyl 4-amino-2,5-difluorobenzoate

Name: Methyl 4-amino-2,5-difluorobenzoate
Brand: ChemScene
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CAS No. 952285-52-8
Cat. No. CS-0042857
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 4-amino-2,5-difluorobenzoate|CS-0042857

Structure of 952285-52-8

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General Information

CAS No. 952285-52-8
Cat. No. CS-0042857
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇F₂NO₂
Molecular Weight 187.14
Synonym(s) Benzoic acid, 4-aMino-2,5-difluoro-, Methyl ester
SMILES O=C(OC)C1=CC(F)=C(N)C=C1F

Description

Methyl 4-amino-2,5-difluorobenzoate features a strategically positioned amino group flanked by two fluorine atoms, enabling precise tuning of electronic properties. This electron-rich scaffold integrates readily into pharmaceutical intermediates and functional materials, offering enhanced solubility and stability under standard conditions.

Application

Methyl 4-amino-2,5-difluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocycles and bioactive scaffolds. The ortho-fluoro groups facilitate palladium-catalyzed cross-coupling reactions, while the amino and ester functionalities offer orthogonal reactivity for sequential functionalization. Bench-stable and readily purified by column chromatography, it supports scalable synthesis of kinase inhibitors and CNS-targeted compounds.

Synthesis

Route1
- 67-56-1
- In-stock
  
  773108-64-8
- ~%
- In-stock
  
  952285-52-8
References
- STEURER, Steffen; BETZEMEIER, Bodo; MCCONNELL, Darryl; GERSTBERGER, Thomas; GRAUERT, Matthias; HOFFMANN, Matthias; IMPAGNATIELLO, Maria; van der VEEN, Lars; WEYER-CZERNILOFSKY, Ulrike Patent: US2007/270401 A1, 2007 ; Location in patent: Page/Page column 6 ;

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

Quality Control

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Computational Chemistry Data

TPSA 52.32
LogP 1.3336
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-2,5-difluorobenzoate

CAS No. 952285-52-8

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