tert-Butyl 1,5-diazocane-1-carboxylate

Name: tert-Butyl 1,5-diazocane-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 223797-64-6
Cat. No. CS-0079686
Purity≥97%
MDL No.MFCD11616045

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 1,5-diazocane-1-carboxylate|CS-0079686

Structure of 223797-64-6

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Description

tert-Butyl 1,5-diazocane-1-carboxylate delivers a rigid, nitrogen-rich scaffold ideal for constructing bioactive heterocycles. This bench-stable derivative features two amine sites flanked by a cyclohexane core, enabling selective functionalization in late-stage synthesis. The tert-butyl ester group facilitates purification and protection strategies under standard conditions.

Application

tert-Butyl 1,5-diazocane-1-carboxylate serves as a stable, bench-ready building block for the synthesis of saturated heterocyclic scaffolds. Its protected diamine functionality enables selective functionalization and facilitates downstream transformations in medicinal chemistry workflows. The tert-butoxycarbonyl (Boc) group provides excellent stability and ease of removal under mild acidic conditions, supporting orthogonal protection strategies in complex molecule assembly.

General Information

CAS No. 223797-64-6
Cat. No. CS-0079686
Purity ≥97%
MDL No. MFCD11616045
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) 1,5-Diazocine-1(2H)-carboxylic acid, hexahydro-, 1,1-diMethylethyl ester
SMILES O=C(OC(C)(C)C)N1CCCNCCC1

Computational Chemistry Data

TPSA 41.57
LogP 1.6069
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl 1,5-diazocane-1-carboxylate

CAS No. 223797-64-6

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