METHYL 4-(TERT-BUTYLCARBONYLAMINO)CUBANECARBOXYLATE

Name: METHYL 4-(TERT-BUTYLCARBONYLAMINO)CUBANECARBOXYLATE
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CAS No. 883554-71-0
Cat. No. CS-W001052
Purity≥97%
MDL No.MFCD08458195

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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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METHYL 4-(TERT-BUTYLCARBONYLAMINO)CUBANECARBOXYLATE|CS-W001052

Structure of 883554-71-0

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General Information

CAS No. 883554-71-0
Cat. No. CS-W001052
Purity ≥97%
MDL No. MFCD08458195
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₉NO₄
Molecular Weight 277.32
Synonym(s) METHYL 4-(TERT-BUTYLCARBONYLAMINO)CUBANECARBOXYLATE
SMILES COC(=O)C12C3C4C2C2C1C3C42NC(=O)OC(C)(C)C

Description

Methyl 4-[(tert-butoxycarbonyl)amino]-1-cubanecarboxylate features a cubane core with a strategically positioned tert-butoxycarbonyl-protected amine and ester functionality. This robust, bench-stable scaffold enables direct incorporation into complex molecular architectures. The cubane framework imparts exceptional rigidity and strain energy, facilitating unique reactivity in synthetic transformations.

Application

Methyl 4-[(tert-butoxycarbonyl)amino]-1-cubanecarboxylate serves as a versatile building block for the synthesis of strained cubane-based scaffolds. The tert-butyl carbamate group enables selective protection and deprotection under mild conditions, while the methyl ester facilitates downstream functionalization. Its stability and compatibility with standard coupling reactions make it valuable for medicinal chemistry and materials science applications requiring rigid, three-dimensional architectures.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 64.63
LogP 1.1745
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Ester

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Key Words

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METHYL 4-(TERT-BUTYLCARBONYLAMINO)CUBANECARBOXYLATE

CAS No. 883554-71-0

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