Methyl 2-methyl-4-nitrobenzoate

Name: Methyl 2-methyl-4-nitrobenzoate
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CAS No. 62621-09-4
Cat. No. CS-0044777
Purity≥98%
MDL No.MFCD03618407

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 2-methyl-4-nitrobenzoate|CS-0044777

Structure of 62621-09-4

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Description

Methyl 2-methyl-4-nitrobenzoate features a para-nitro group flanking a methyl-substituted benzene ring, delivering enhanced electron-withdrawing character. This configuration supports efficient coupling in cross-coupling reactions and facilitates selective functionalization in synthetic sequences. The ester moiety enables straightforward derivatization, while the compound exhibits good bench stability and solubility in common organic solvents.

Application

Methyl 2-methyl-4-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. Its ortho-methyl and para-nitro groups provide directed functionalization sites, while the ester moiety supports selective transformations including reduction, coupling, and nucleophilic substitution. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses for pharmaceutical intermediates and agrochemicals.

General Information

CAS No. 62621-09-4
Cat. No. CS-0044777
Purity ≥98%
MDL No. MFCD03618407
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₄
Molecular Weight 195.17
Synonym(s) Methyl 4-Nitro-o-toluate
SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1C

Computational Chemistry Data

TPSA 69.44
LogP 1.68982
H_Acceptors 4
H_Donors 0
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 Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-methyl-4-nitrobenzoate

CAS No. 62621-09-4

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