Ethyl 4-formylcyclohexanecarboxylate

Name: Ethyl 4-formylcyclohexanecarboxylate
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CAS No. 174080-08-1
Cat. No. CS-0151637
Purity≥95%
MDL No.MFCD20258884

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Ethyl 4-formylcyclohexanecarboxylate|CS-0151637

Structure of 174080-08-1

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General Information

CAS No. 174080-08-1
Cat. No. CS-0151637
Purity ≥95%
MDL No. MFCD20258884
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₆O₃
Molecular Weight 184.23
Synonym(s) Cyclohexanecarboxylic acid, 4-formyl-, ethyl ester
SMILES CCOC(=O)C1CCC(CC1)C=O

Description

Ethyl 4-formylcyclohexanecarboxylate features a cyclohexane ring bearing both a formyl and an ethoxycarbonyl group in a trans-1,4-relationship. This bifunctional scaffold enables direct incorporation into multistep syntheses, particularly for complex terpenoid and macrocyclic architectures. The aldehyde functionality remains stable under standard conditions while allowing selective transformations such as Wittig reactions or reductive amination.

Application

Ethyl 4-formylcyclohexanecarboxylate serves as a versatile bifunctional building block in synthetic organic chemistry, enabling efficient access to substituted cyclohexane scaffolds. The aldehyde and ester functionalities permit sequential transformations via nucleophilic addition, reductive amination, or coupling reactions, with demonstrated utility in heterocycle synthesis and natural product derivatization. Bench-stable and amenable to standard purification protocols, it functions reliably in multi-step syntheses requiring orthogonal reactivity.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 43.37
LogP 1.5548
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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Ethyl 4-formylcyclohexanecarboxylate

CAS No. 174080-08-1

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