tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate

Name: tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate
Brand: ChemScene
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CAS No. 1034975-35-3
Cat. No. CS-0059763
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate|CS-0059763

Structure of 1034975-35-3

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Description

tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate features a pendent amino group and a sterically hindered tert-butyl ester, enabling facile deprotection under mild acidic conditions. The electron-rich piperazine moiety enhances solubility and facilitates conjugation in synthetic intermediates. This scaffold integrates readily into bioactive molecules requiring polar, basic functional handles.

Application

tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to substituted benzamide derivatives. The tert-butyl ester facilitates convenient deprotection under mild acidic conditions, while the ortho-amino and piperazinyl functionalities offer multiple sites for derivatization. Its stability and compatibility with standard coupling reactions make it a practical building block for target-oriented synthesis.

General Information

CAS No. 1034975-35-3
Cat. No. CS-0059763
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₅N₃O₂
Molecular Weight 291.39
Synonym(s) tert-Butyl 2-Amino-4-(4-methyl-1-piperazinyl)benzoate
SMILES C(C=1C(=CC(=CC1)N2CCN(CC2)C)N)(=O)OC(C)(C)C

Computational Chemistry Data

TPSA 58.8
LogP 1.9759
H_Acceptors 5
H_Donors 1
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-P330-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate

CAS No. 1034975-35-3

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