Methyl 4-amino-3,5-dimethylbenzoate

Name: Methyl 4-amino-3,5-dimethylbenzoate
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CAS No. 3095-48-5
Cat. No. CS-W005283
Purity≥98%
MDL No.MFCD09833906

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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 4-amino-3,5-dimethylbenzoate|CS-W005283

Structure of 3095-48-5

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Description

Methyl 4-amino-3,5-dimethylbenzoate features a methyl ester group flanked by two methyl substituents and a primary amino function at the para position relative to the ester. This electron-rich aromatic scaffold enables direct incorporation into peptide mimetics and bioactive heterocycles. The compound exhibits enhanced solubility in organic solvents and stability under standard bench conditions, facilitating use in synthetic medicinal chemistry workflows.

Application

Methyl 4-amino-3,5-dimethylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its ortho-dimethyl substitution pattern enhances stability and modulates electronic properties, while the amino and ester functionalities enable diverse transformations—such as acylation, diazotization, and coupling reactions—facilitating access to substituted aromatic scaffolds and heterocycles under standard reaction conditions.

General Information

CAS No. 3095-48-5
Cat. No. CS-W005283
Purity ≥98%
MDL No. MFCD09833906
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₂
Molecular Weight 179.22
Synonym(s) Benzoic acid,4-amino-3,5-dimethyl-, methyl ester
SMILES COC(=O)C1=CC(C)=C(N)C(C)=C1

Computational Chemistry Data

TPSA 52.32
LogP 1.67224
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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 4-amino-3,5-dimethylbenzoate

CAS No. 3095-48-5

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