Methyl 3-amino-4-bromobenzoate

Name: Methyl 3-amino-4-bromobenzoate
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CAS No. 46064-79-3
Cat. No. CS-W004909
Purity≥97%
MDL No.MFCD00553090

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Methyl 3-amino-4-bromobenzoate|CS-W004909

Structure of 46064-79-3

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Description

Methyl 3-amino-4-bromobenzoate features a brominated aromatic core with complementary amino and ester functionalities, enabling direct integration into Suzuki-Miyaura couplings and amide derivatization. The para-bromo group facilitates palladium-catalyzed cross-coupling, while the ortho-amino moiety offers a handle for electrophilic modification or coordination in catalytic systems. This bifunctional scaffold supports rapid access to complex heterocycles and bioactive molecules under standard conditions.

Application

Methyl 3-amino-4-bromobenzoate serves as a versatile building block in medicinal chemistry, enabling sequential functionalization via the orthogonal reactivity of its amino and bromo groups. The amine facilitates coupling reactions or derivatization under mild conditions, while the bromo group supports palladium-catalyzed cross-coupling transformations. Bench-stable and readily purified by recrystallization, it functions efficiently in the synthesis of heterocyclic scaffolds and API intermediates.

General Information

CAS No. 46064-79-3
Cat. No. CS-W004909
Purity ≥97%
MDL No. MFCD00553090
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrNO₂
Molecular Weight 230.06
Synonym(s) Benzoicacid, 3-aMino-4-broMo-, Methyl ester
SMILES NC1=C(C=CC(=C1)C(=O)OC)Br

Computational Chemistry Data

TPSA 52.32
LogP 1.8179
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

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 3-amino-4-bromobenzoate

CAS No. 46064-79-3

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