Di-tert-butyl bicyclo[1.1.1]Pentane-1,3-diyldicarbamate

Name: Di-tert-butyl bicyclo[1.1.1]Pentane-1,3-diyldicarbamate
Brand: ChemScene
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CAS No. 2231676-10-9
Cat. No. CS-0470573
Purity≥98%
MDL No.MFCD31705060

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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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Di-tert-butyl bicyclo[1.1.1]Pentane-1,3-diyldicarbamate|CS-0470573

Structure of 2231676-10-9

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Description

Di-tert-butyl bicyclo[1.1.1]pentane-1,3-diyldicarbamate features a rigid, electron-rich cage core that enhances metabolic stability and lipophilicity in bioactive molecules. This bench-stable, moisture-tolerant scaffold integrates seamlessly into drug discovery workflows, offering improved membrane permeability and reduced susceptibility to oxidative degradation.

Application

Di-tert-butyl bicyclo[1.1.1]pentane-1,3-diyldicarbamate serves as a sterically encumbered, bench-stable building block for the construction of rigid, three-dimensional scaffolds in medicinal chemistry. Its orthogonal protecting groups enable selective deprotection and functionalization, while the bicyclic core imparts conformational rigidity and enhanced metabolic stability. The molecule facilitates efficient coupling reactions and functions as a key intermediate in the synthesis of complex heterocycles and API candidates requiring defined spatial orientation.

General Information

CAS No. 2231676-10-9
Cat. No. CS-0470573
Purity ≥98%
MDL No. MFCD31705060
Storage -20°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₆N₂O₄
Molecular Weight 298.38
Synonym(s) None
SMILES CC(C)(C)OC(=O)NC12CC(C2)(NC(=O)OC(C)(C)C)C1

Computational Chemistry Data

TPSA 76.66
LogP 2.7109
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS07,GHS08,GHS09
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H336-H341-H373-H411
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P304+P340-P330-P391-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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Di-tert-butyl bicyclo[1.1.1]Pentane-1,3-diyldicarbamate

CAS No. 2231676-10-9

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