Methyl 4-Pyrrolidin-1-1ylbenzoate

Name: Methyl 4-Pyrrolidin-1-1ylbenzoate
Brand: ChemScene
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CAS No. 129414-26-2
Cat. No. CS-0061847
Purity≥98%
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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Methyl 4-Pyrrolidin-1-1ylbenzoate|CS-0061847

Structure of 129414-26-2

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Description

Methyl 4-pyrrolidin-1-ylbenzoate features a pyrrolidine ring attached to a benzoate ester, delivering enhanced solubility and stability in organic media. This electron-rich aromatic system facilitates efficient coupling reactions and serves as a key intermediate in pharmaceutical synthesis. The molecule’s polar amine functionality enables straightforward derivatization under mild conditions.

Application

Methyl 4-pyrrolidin-1-ylbenzoate serves as a versatile synthetic intermediate in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard amidation and coupling reactions. Its pyrrolidine moiety provides favorable solubility and metabolic stability, while the ester group facilitates selective derivatization. The compound exhibits excellent bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows in drug discovery programs.

General Information

CAS No. 129414-26-2
Cat. No. CS-0061847
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅NO₂
Molecular Weight 205.25
Synonym(s) METHYL-4-PYRROLIDIN-1-YLBENZOATE
SMILES COC(=O)C1=CC=C(C=C1)N2CCCC2

Computational Chemistry Data

TPSA 29.54
LogP 2.0734
H_Acceptors 3
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 Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-Pyrrolidin-1-1ylbenzoate

CAS No. 129414-26-2

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