Methyl 5-amino-2-nitrobenzoate

Name: Methyl 5-amino-2-nitrobenzoate
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CAS No. 35998-96-0
Cat. No. CS-W003840
Purity≥95%
MDL No.MFCD12913482

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Methyl 5-amino-2-nitrobenzoate|CS-W003840

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Description

Methyl 5-amino-2-nitrobenzoate features a para-substituted aromatic core with complementary electron-donating (amino) and electron-withdrawing (nitro) groups, enabling precise tuning of reactivity. This bench-stable derivative integrates readily into coupling protocols, serving as a key intermediate for functionalized heterocycles and bioactive molecule synthesis under standard conditions.

Application

Methyl 5-amino-2-nitrobenzoate serves as a versatile synthetic intermediate in the construction of heterocyclic scaffolds and pharmaceutical building blocks. Its ortho-nitro and para-amino groups enable sequential functionalization, including selective reduction, diazotization, and coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 35998-96-0
Cat. No. CS-W003840
Purity ≥95%
MDL No. MFCD12913482
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O₄
Molecular Weight 196.16
Synonym(s) Methyl 5-aMino-2-nitro benzoate
SMILES [O-][N+](=O)c1ccc(cc1C(=O)OC)N

Computational Chemistry Data

TPSA 95.46
LogP 0.9636
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Safety Information

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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

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 5-amino-2-nitrobenzoate

CAS No. 35998-96-0

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