Methyl 2-amino-4-bromo-5-fluorobenzoate

Name: Methyl 2-amino-4-bromo-5-fluorobenzoate
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CAS No. 1395493-30-7
Cat. No. CS-0130818
Molecule weight248.05
Purity≥97%
MDL No.MFCD22565660

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Methyl 2-amino-4-bromo-5-fluorobenzoate|CS-0130818

Structure of 1395493-30-7

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General Information

CAS No. 1395493-30-7
Cat. No. CS-0130818
Purity ≥97%
MDL No. MFCD22565660
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrFNO₂
Molecular Weight 248.05
Synonym(s) Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester
SMILES O=C(OC)C1=CC(F)=C(Br)C=C1N

Description

Methyl 2-amino-4-bromo-5-fluorobenzoate features a uniquely functionalized aromatic core with complementary electron-donating (amino) and electron-withdrawing (bromo, fluoro) substituents. This combination enables precise tuning of reactivity in cross-coupling and electrophilic substitution processes. The methyl ester group provides a stable handle for subsequent derivatization, while the bench-stable nature facilitates handling under standard conditions.

Application

Methyl 2-amino-4-bromo-5-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. The molecule combines ortho-directed reactivity from the amino group with complementary halogenation sites for palladium-catalyzed cross-coupling. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient purification and scalable transformations in multi-step syntheses.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 52.32
LogP 1.957
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-amino-4-bromo-5-fluorobenzoate

CAS No. 1395493-30-7

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