Methyl 2-amino-4-bromo-5-methoxybenzoate

Name: Methyl 2-amino-4-bromo-5-methoxybenzoate
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CAS No. 1256955-36-8
Cat. No. CS-0102730
Purity≥97%
MDL No.None

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Methyl 2-amino-4-bromo-5-methoxybenzoate|CS-0102730

Structure of 1256955-36-8

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General Information

CAS No. 1256955-36-8
Cat. No. CS-0102730
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀BrNO₃
Molecular Weight 260.08
Synonym(s) 2-AMino-4-broMo-5-Methoxy-benzoic acid Methyl ester
SMILES O=C(OC)C1=CC(OC)=C(Br)C=C1N

Description

Methyl 2-amino-4-bromo-5-methoxybenzoate features a strategically positioned bromine atom and methoxy group on the aromatic ring, enabling selective cross-coupling reactions. The amino substituent enhances solubility and reactivity in transition-metal-catalyzed transformations. This bench-stable derivative serves as a key intermediate in synthesizing bioactive heterocycles and functionalized pharmaceutical scaffolds.

Application

Methyl 2-amino-4-bromo-5-methoxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds. The molecule’s ortho-amino and bromo functionalities facilitate sequential cross-coupling and cyclization reactions under standard conditions. Bench-stable with excellent functional group tolerance, it simplifies purification and supports 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 61.55
LogP 1.8265
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

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 2-amino-4-bromo-5-methoxybenzoate

CAS No. 1256955-36-8

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