Methyl 3-amino-4-bromo-2-nitrobenzoate

Name: Methyl 3-amino-4-bromo-2-nitrobenzoate
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CAS No. 1207175-60-7
Cat. No. CS-0161146
Molecule weight275.06
Purity≥95%
MDL No.MFCD13677167

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Methyl 3-amino-4-bromo-2-nitrobenzoate|CS-0161146

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General Information

CAS No. 1207175-60-7
Cat. No. CS-0161146
Purity ≥95%
MDL No. MFCD13677167
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrN₂O₄
Molecular Weight 275.06
Synonym(s) METHYL-3-AMINO-4-BROMO-2-NITROBENZOATE
SMILES O=C(OC)C1=CC=C(Br)C(N)=C1[N+]([O-])=O

Description

Methyl 3-amino-4-bromo-2-nitrobenzoate features a strategically positioned amino group enabling direct functionalization, while the bromine and nitro substituents provide orthogonal reactivity for cross-coupling and reduction sequences. This electron-deficient aryl scaffold supports efficient derivatization in synthetic routes to bioactive molecules and advanced intermediates.

Application

Methyl 3-amino-4-bromo-2-nitrobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling sequential functionalization via orthogonal reactivity. The amino group facilitates nucleophilic substitution or coupling reactions, while the bromo and nitro functionalities support palladium-catalyzed cross-couplings and controlled reduction sequences. Its bench-stable nature and compatibility with standard purification methods make it well-suited for multi-step syntheses of complex heterocyclic scaffolds and API intermediates.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 95.46
LogP 1.7261
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

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-bromo-2-nitrobenzoate

CAS No. 1207175-60-7

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