Methyl 3-amino-2-nitrobenzoate

Name: Methyl 3-amino-2-nitrobenzoate
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CAS No. 1261647-99-7
Cat. No. CS-0534612
Purity≥98%
MDL No.MFCD18398685

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Methyl 3-amino-2-nitrobenzoate|CS-0534612

Structure of 1261647-99-7

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General Information

CAS No. 1261647-99-7
Cat. No. CS-0534612
Purity ≥98%
MDL No. MFCD18398685
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O₄
Molecular Weight 196.16
Synonym(s) Benzoic acid, 3-aMino-2-nitro-, Methyl ester
SMILES O=C(OC)C1=CC=CC(N)=C1[N+]([O-])=O

Description

Methyl 3-amino-2-nitrobenzoate features a strategically positioned nitro group flanking a primary amine, enabling direct functionalization in late-stage synthesis. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates and bioactive molecule platforms under standard conditions.

Application

Methyl 3-amino-2-nitrobenzoate serves as a versatile synthetic intermediate in heterocyclic chemistry and medicinal compound development. The ortho-nitro and amino groups enable sequential functionalization, facilitating reductive transformations and electrophilic substitutions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for multi-step synthesis workflows in pharmaceutical and agrochemical research.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 95.46
LogP 0.9636
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

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 3-amino-2-nitrobenzoate

CAS No. 1261647-99-7

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