tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate

Name: tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
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CAS No. 949559-11-9
Cat. No. CS-0058542
Purity≥97%
MDL No.MFCD25509361

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FedEx Limited Quantities Ground	$0.00
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tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate|CS-0058542

Structure of 949559-11-9

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General Information

CAS No. 949559-11-9
Cat. No. CS-0058542
Purity ≥97%
MDL No. MFCD25509361
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₂N₂O₂
Molecular Weight 226.32
Synonym(s) Tert-butyl octahydro-1H-pyrrolo[2,3-C]pyridine-1-carboxylate
SMILES CC(C)(C)OC(N1[C@@]2([H])CNCC[C@@]2([H])CC1)=O

Description

tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate is a conformationally constrained, bench-stable heterocyclic building block featuring a saturated pyrrolidine-piperidine fusion. This sterically protected amine precursor enables efficient access to complex alkaloid architectures and nitrogen-containing scaffolds in medicinal chemistry campaigns.

Application

tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate serves as a stable, bench-ready nitrogen heterocycle scaffold for medicinal chemistry and catalytic synthesis. The protected amine enables selective functionalization at the pyrrolidine ring, while the cis-configured bicyclic core provides defined stereochemistry for target-oriented synthesis. Its tert-butyl carbamate group facilitates straightforward deprotection under mild acidic conditions, supporting efficient access to free base intermediates in drug discovery workflows.

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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Computational Chemistry Data

TPSA 41.57
LogP 1.6053
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl cis-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate

CAS No. 949559-11-9

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