tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

Name: tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
Brand: ChemScene
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CAS No. 173405-78-2
Cat. No. CS-W008818
Purity≥97%
MDL No.MFCD05861627

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate|CS-W008818

Structure of 173405-78-2

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General Information

CAS No. 173405-78-2
Cat. No. CS-W008818
Purity ≥97%
MDL No. MFCD05861627
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₂₆N₂O₂
Molecular Weight 254.37
Synonym(s) None
SMILES O=C(OC(C)(C)C)N(CC1)CCC21CCNCC2

Description

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate features a rigid spirocyclic scaffold with two nitrogen atoms positioned at the bridgehead and adjacent to the ester functionality. This configuration imparts enhanced conformational stability and facilitates selective derivatization in complex molecular architectures. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, supporting efficient integration into advanced synthetic sequences.

Application

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry and catalytic synthesis. The protected diamine functionality enables selective derivatization under standard conditions, while the tert-butyl ester facilitates easy deprotection and purification. Its rigid, three-dimensional architecture enhances metabolic stability and conformational control in target molecules, making it a valuable building block for heterocyclic and macrocyclic compound libraries.

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 2.3871
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Boc

Building Blocks Functional Group Amine

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

CAS No. 173405-78-2

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