Methyl 2-amino-3-bromobenzoate

Name: Methyl 2-amino-3-bromobenzoate
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CAS No. 104670-74-8
Cat. No. CS-W018624
Purity≥97%
MDL No.MFCD11042862

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Methyl 2-amino-3-bromobenzoate|CS-W018624

Structure of 104670-74-8

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Description

Methyl 2-amino-3-bromobenzoate features a brominated benzene ring bearing both amino and ester functionalities, enabling direct incorporation into diverse synthetic scaffolds. The para-positioned amino group enhances reactivity in electrophilic substitution, while the methyl ester provides a handle for selective derivatization under standard conditions. This compound serves as a key intermediate in medicinal chemistry and agrochemical synthesis.

Application

Methyl 2-amino-3-bromobenzoate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The ortho-bromo and amino groups enable palladium-catalyzed cross-coupling reactions and direct functionalization, while the methyl ester provides a handle for selective reduction or hydrolysis. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to substituted benzimidazoles, indoles, and other pharmacophores relevant to drug discovery.

General Information

CAS No. 104670-74-8
Cat. No. CS-W018624
Purity ≥97%
MDL No. MFCD11042862
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrNO₂
Molecular Weight 230.06
Synonym(s) 2-amino-3-bromo-Benzoic acid methyl ester
SMILES NC1=C(C(=O)OC)C=CC=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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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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 2-amino-3-bromobenzoate

CAS No. 104670-74-8

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