Methyl 4-amino-2-bromobenzoate

Name: Methyl 4-amino-2-bromobenzoate
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CAS No. 98545-64-3
Cat. No. CS-0041853
Purity≥97%
MDL No.MFCD00859376

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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-bromobenzoate|CS-0041853

Structure of 98545-64-3

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Description

Methyl 4-amino-2-bromobenzoate features a bromine substituent at the ortho position relative to the ester, enhancing electrophilic reactivity. The para-amino group provides a nucleophilic handle for further derivatization. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical scaffolds.

Application

Methyl 4-amino-2-bromobenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. The molecule features a bromine substituent at the ortho position relative to the ester, enabling palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, or Negishi couplings. The amino group provides a handle for acylation, diazotization, or direct functionalization, while the methyl ester is readily hydrolyzed or reduced. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical intermediate for constructing complex heterocyclic scaffolds and API candidates.

General Information

CAS No. 98545-64-3
Cat. No. CS-0041853
Purity ≥97%
MDL No. MFCD00859376
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrNO₂
Molecular Weight 230.06
Synonym(s) BENZOIC ACID, 4-AMINO-2-BROMO-, METHYL ESTER
SMILES O=C(OC)C1=CC=C(N)C=C1Br

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 4-amino-2-bromobenzoate

CAS No. 98545-64-3

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