Methyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate

Name: Methyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate
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CAS No. 141046-59-5
Cat. No. CS-0056909
Purity≥96%
MDL No.None

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Excepted Quantity	$0.00
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Methyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate|CS-0056909

Structure of 141046-59-5

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General Information

CAS No. 141046-59-5
Cat. No. CS-0056909
Purity ≥96%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉IO₂
Molecular Weight 252.05
Synonym(s) Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-iodo-, methyl ester
SMILES O=C(C1(C2)CC2(I)C1)OC

Description

Methyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate delivers a rigid, electron-deficient scaffold ideal for C–H functionalization and cycloaddition chemistry. The strained bicyclic core enhances reactivity, while the iodide serves as a versatile handle for cross-coupling. Bench-stable and moisture-tolerant, this reagent streamlines access to complex molecular architectures in synthetic and medicinal chemistry workflows.

Application

Methyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate serves as a versatile, bench-stable building block for constructing strained three-membered ring systems via palladium-catalyzed cross-coupling reactions. The iodo group enables efficient Suzuki-Miyaura and Stille couplings, while the bicyclo[1.1.1]pentane core imparts enhanced metabolic stability and favorable physicochemical properties. Its high functional group tolerance and ease of purification make it ideal for medicinal chemistry applications requiring rapid scaffold diversification.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 1.5171
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

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 3-iodobicyclo[1.1.1]pentane-1-carboxylate

CAS No. 141046-59-5

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