rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate

Name: rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate
Brand: ChemScene
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CAS No. 114095-58-8
Cat. No. CS-0163617
Purity≥94%
MDL No.MFCD24369482

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rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate|CS-0163617

Structure of 114095-58-8

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General Information

CAS No. 114095-58-8
Cat. No. CS-0163617
Purity ≥94%
MDL No. MFCD24369482
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃BrO₂
Molecular Weight 269.13
Synonym(s) TRANS-2-(3-BROMOPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID ETHYL ESTER
SMILES CCOC([C@H]1[C@H](C2=CC(Br)=CC=C2)C1)=O

Description

rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate features a stereochemically defined cyclopropyl core with a para-brominated phenyl substituent, delivering high configurational integrity. This bench-stable derivative integrates efficiently into asymmetric synthesis workflows, serving as a chiral building block for complex pharmaceutical intermediates.

Application

rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate serves as a stereochemically defined cyclopropyl building block for medicinal chemistry and asymmetric synthesis. The pendant bromide enables direct functionalization via palladium-catalyzed cross-coupling, while the ester group supports controlled hydrolysis or reduction. Its bench-stable nature and predictable stereochemistry facilitate efficient incorporation into complex molecular architectures, including bioactive heterocycles and API intermediates.

Safety Information

Download SDS

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 26.3
LogP 3.1157
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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rel-Ethyl (1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylate

CAS No. 114095-58-8

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