tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Name: tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Brand: ChemScene
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CAS No. 1017789-34-2
Cat. No. CS-0046642
Purity≥96%
MDL No.MFCD09991607

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tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate|CS-0046642

Structure of 1017789-34-2

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General Information

CAS No. 1017789-34-2
Cat. No. CS-0046642
Purity ≥96%
MDL No. MFCD09991607
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈N₂O₂
Molecular Weight 198.26
Synonym(s) 3-BOC-3,6-DIAZABICYCLO[3.2.0]HEPTANE
SMILES CC(C)(C)OC(N1CC2NCC2C1)=O

Description

tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate is a sterically encumbered, bench-stable heterocyclic scaffold featuring two nitrogen atoms in a rigid bicyclic framework. This configuration enables selective coordination in catalytic systems and facilitates incorporation into complex molecular architectures via mild deprotection protocols.

Application

tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate serves as a conformationally constrained diamine building block, enabling access to complex nitrogen-rich scaffolds through selective functionalization at the 3- and 6-positions. Its tert-butyl ester group provides bench stability and facilitates straightforward deprotection under mild acidic conditions. The bicyclic core offers defined spatial orientation, enhancing predictability in downstream coupling reactions and heterocycle formation.

Safety Information

Download SDS

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 0.8251
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Azetidine compounds

Key Words

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tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

CAS No. 1017789-34-2

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