(5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Name: (5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
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CAS No. 957135-12-5
Cat. No. CS-0088987
Purity≥97%
MDL No.None

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(5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate|CS-0088987

Structure of 957135-12-5

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Description

This sterically encumbered pyrrolodiazocine derivative features a protected amine and ester functionality, enabling direct incorporation into complex polycyclic scaffolds. The tert-butoxycarbonyl group provides stability during multi-step synthesis, while the methyl ester facilitates selective deprotection. Designed for efficient access to bioactive alkaloid frameworks under standard bench conditions.

Application

(5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate serves as a stereochemically defined heterocyclic building block for the synthesis of complex nitrogen-containing scaffolds. Its pendant Boc-protected amine and ester functionalities enable sequential transformations in multi-step syntheses. The molecule exhibits bench stability and facilitates efficient functional group interconversions, making it well-suited for medicinal chemistry campaigns requiring precise stereocontrol and robust reactivity profiles.

General Information

CAS No. 957135-12-5
Cat. No. CS-0088987
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₇N₃O₅
Molecular Weight 341.40
Synonym(s) (5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
SMILES O=C([C@@H]1CC[C@@](CCNC[C@@H]2NC(OC(C)(C)C)=O)([H])N1C2=O)OC

Computational Chemistry Data

TPSA 96.97
LogP 0.4056
H_Acceptors 6
H_Donors 2
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

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

CAS No. 957135-12-5

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