tert-Butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate

Name: tert-Butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate
Brand: ChemScene
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CAS No. 153789-13-0
Cat. No. CS-0438637
Purity≥98%
MDL No.MFCD16987842

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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 7-azabicyclo[4.1.0]heptane-7-carboxylate|CS-0438637

Structure of 153789-13-0

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Description

tert-Butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate features a rigid, nitrogen-substituted bicyclic core that imparts conformational constraint, enhancing target selectivity in medicinal chemistry applications. The tert-butyl ester group ensures stability and facilitates straightforward deprotection under mild acidic conditions. This scaffold integrates readily into complex molecular architectures.

Application

tert-Butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate serves as a conformationally constrained bicyclic scaffold enabling precise spatial positioning of substituents in medicinal chemistry campaigns. The tertiary amine functionality offers strong basicity and hydrogen-bonding capacity, while the tert-butyl ester group provides bench stability and facile deprotection under mild acidic conditions. This compound functions as a key building block for synthesizing bioactive heterocycles and drug candidates requiring defined stereochemistry and rigidity.

General Information

CAS No. 153789-13-0
Cat. No. CS-0438637
Purity ≥98%
MDL No. MFCD16987842
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₉NO₂
Molecular Weight 197.27
Synonym(s) 7-Azabicyclo[4.1.0]heptane-7-carboxylic acid, 1,1-dimethylethyl ester
SMILES O=C(N1C2CCCCC12)OC(C)(C)C

Computational Chemistry Data

TPSA 29.31
LogP 2.5483
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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 Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate

CAS No. 153789-13-0

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