3-Amino-4-methylbenzoic acid ethyl ester

Name: 3-Amino-4-methylbenzoic acid ethyl ester
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CAS No. 41191-92-8
Cat. No. CS-B1330
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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3-Amino-4-methylbenzoic acid ethyl ester|CS-B1330

Structure of 41191-92-8

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Description

This ethyl ester derivative features a para-substituted aromatic ring bearing both an amino and methyl group, enabling direct incorporation into peptide mimetics and pharmaceutical scaffolds. The ester functionality supports facile hydrolysis or derivatization under standard conditions, while the electron-donating amino and methyl groups enhance reactivity in cross-coupling processes.

Application

3-Amino-4-methylbenzoic acid ethyl ester serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard condensation and cyclization protocols. The amino and ester functionalities offer orthogonal reactivity for sequential derivatization, while the methyl group provides a defined regiochemical handle. Bench-stable and readily purified by standard chromatography, it facilitates scalable synthesis of bioactive intermediates.

General Information

CAS No. 41191-92-8
Cat. No. CS-B1330
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₂
Molecular Weight 179.22
Synonym(s) Ethyl 3-amino-4-methylbenzoate; Ethyl 3-Amino-p-toluate
SMILES NC1=C(C)C=CC(C(OCC)=O)=C1

Computational Chemistry Data

TPSA 52.32
LogP 1.75392
H_Acceptors 3
H_Donors 1
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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3-Amino-4-methylbenzoic acid ethyl ester

CAS No. 41191-92-8

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