tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

Name: tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
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CAS No. 177911-87-4
Cat. No. CS-W009253
Purity≥98%
MDL No.MFCD01317793

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tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate|CS-W009253

Structure of 177911-87-4

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Description

tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate features a pyrrolidine core with a strategically positioned aminomethyl side chain, enabling direct functionalization in synthetic routes. The tert-butyl ester group provides stability and ease of removal under mild acidic conditions, facilitating efficient incorporation into complex molecular architectures. This scaffold serves as a key building block for bioactive compound synthesis, particularly in medicinal chemistry applications where nitrogen-rich heterocycles are required.

Application

tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrrolidine-based scaffolds. The protected amine and carboxylate groups offer orthogonal functionality for sequential transformations, while the tert-butyl group ensures bench stability and facile removal under mild acidic conditions. It functions as a key intermediate in the synthesis of bioactive molecules, particularly those requiring nitrogen-containing heterocycles with defined stereochemistry.

General Information

CAS No. 177911-87-4
Cat. No. CS-W009253
Purity ≥98%
MDL No. MFCD01317793
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₂₀N₂O₂
Molecular Weight 200.28
Synonym(s) 2-(Aminomethyl)-1-Boc-pyrrolidine
SMILES O=C(N1C(CN)CCC1)OC(C)(C)C

Computational Chemistry Data

TPSA 55.56
LogP 1.3446
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 2735
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P264-P271-P280-P301+P330+P331-P304+P340-P363-P501

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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

CAS No. 177911-87-4

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