methyl 2-(4-aminophenyl)-2-methylpropanoate

Name: methyl 2-(4-aminophenyl)-2-methylpropanoate
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CAS No. 54815-23-5
Cat. No. CS-0029914
Purity≥98%
MDL No.MFCD20441536

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methyl 2-(4-aminophenyl)-2-methylpropanoate|CS-0029914

Structure of 54815-23-5

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General Information

CAS No. 54815-23-5
Cat. No. CS-0029914
Purity ≥98%
MDL No. MFCD20441536
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₅NO₂
Molecular Weight 193.24
Synonym(s) Benzeneacetic acid, 4-amino-α,α-dimethyl-, methyl ester
SMILES COC(C(C)(C1=CC=C(N)C=C1)C)=O

Description

Methyl 2-(4-aminophenyl)-2-methylpropanoate features a para-aminophenyl group attached to a sterically hindered methylpropanoate core, enabling efficient coupling in peptide and pharmaceutical synthesis. The electron-rich aromatic amine facilitates nucleophilic reactions, while the ester moiety offers tunable reactivity under standard conditions.

Application

Methyl 2-(4-aminophenyl)-2-methylpropanoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of aryl-substituted proline analogs and heterocyclic scaffolds. Its robust amine and ester functionalities tolerate diverse transformations, including amidation, coupling reactions, and electrophilic substitution. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns in API development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 52.32
LogP 1.7194
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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methyl 2-(4-aminophenyl)-2-methylpropanoate

CAS No. 54815-23-5

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