Ethyl 2-amino-4,6-difluorobenzoate

Name: Ethyl 2-amino-4,6-difluorobenzoate
Brand: ChemScene
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CAS No. 1147107-15-0
Cat. No. CS-0102725
Purity≥97%
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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Ethyl 2-amino-4,6-difluorobenzoate|CS-0102725

Structure of 1147107-15-0

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General Information

CAS No. 1147107-15-0
Cat. No. CS-0102725
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉F₂NO₂
Molecular Weight 201.17
Synonym(s) Benzoic acid, 2-amino-4,6-difluoro-, ethyl ester
SMILES O=C(OCC)C1=C(F)C=C(F)C=C1N

Description

Ethyl 2-amino-4,6-difluorobenzoate features a strategically positioned amino group flanked by two fluorine atoms, enabling directed functionalization in pharmaceutical intermediates. The ethyl ester facilitates downstream transformations while maintaining stability under standard conditions. This electron-deficient aryl scaffold supports coupling reactions and conjugation strategies in medicinal chemistry.

Application

Ethyl 2-amino-4,6-difluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocycles and bioactive scaffolds. The ortho-amino group facilitates direct functionalization, while the difluoro substitution pattern supports electrophilic aromatic substitution and palladium-catalyzed coupling reactions. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthesis workflows.

Safety Information

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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 52.32
LogP 1.7237
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

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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Ethyl 2-amino-4,6-difluorobenzoate

CAS No. 1147107-15-0

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