Methyl 3-methyl-4-nitrobenzoate

Name: Methyl 3-methyl-4-nitrobenzoate
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CAS No. 24078-21-5
Cat. No. CS-M0758
Purity≥97%
MDL No.MFCD00085640

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 3-methyl-4-nitrobenzoate|CS-M0758

Structure of 24078-21-5

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Description

Methyl 3-methyl-4-nitrobenzoate is a bench-stable, moisture-tolerant ester featuring a para-nitro group flanked by a methyl substituent on the aromatic ring. This electron-deficient scaffold integrates readily into synthetic sequences requiring nitroaryl intermediates, enabling efficient access to functionalized heterocycles and pharmaceutical building blocks under standard conditions.

Application

Methyl 3-methyl-4-nitrobenzoate serves as a versatile synthetic intermediate in medicinal chemistry and agrochemical research. Its ortho-substituted nitro group enables efficient reduction to the corresponding amine, while the methyl ester functions as a handle for selective derivatization. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis involving palladium-catalyzed coupling, nucleophilic substitution, or heterocycle formation.

General Information

CAS No. 24078-21-5
Cat. No. CS-M0758
Purity ≥97%
MDL No. MFCD00085640
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₄
Molecular Weight None
Synonym(s) N-PROPYL-4-METHYL-6-CARBOXY-BENZIMIDAZOLE; Methyl 3-methyl-4-nitrobenzoate
SMILES CC1=C([N+]([O-])=O)C=CC(C(OC)=O)=C1

Computational Chemistry Data

TPSA 69.44
LogP 1.68982
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-methyl-4-nitrobenzoate

CAS No. 24078-21-5

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