Ethyl 2-amino-4,5-difluorobenzoate

Name: Ethyl 2-amino-4,5-difluorobenzoate
Brand: ChemScene
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CAS No. 864293-36-7
Cat. No. CS-0025151
Purity≥98%
MDL No.MFCD11226323

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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-4,5-difluorobenzoate|CS-0025151

Structure of 864293-36-7

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General Information

CAS No. 864293-36-7
Cat. No. CS-0025151
Purity ≥98%
MDL No. MFCD11226323
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-4,5-difluoro-, ethyl ester (9CI)
SMILES O=C(OCC)C1=CC(F)=C(F)C=C1N

Description

Ethyl 2-amino-4,5-difluorobenzoate features a strategically positioned amino group flanked by two fluorine atoms, enabling enhanced electron density modulation and improved solubility in polar organic solvents. This scaffold integrates readily into pharmaceutical intermediates, offering robust stability under standard conditions for synthetic applications in medicinal chemistry workflows.

Application

Ethyl 2-amino-4,5-difluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its dual functionality—electron-rich amine and electrophilic difluorophenyl moiety—facilitates diverse coupling reactions and cyclization protocols. Bench-stable and readily purified, it supports scalable synthesis of bioactive intermediates with enhanced metabolic stability.

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-4,5-difluorobenzoate

CAS No. 864293-36-7

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