Methyl 4-oxocyclohexanecarboxylate

Name: Methyl 4-oxocyclohexanecarboxylate
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CAS No. 6297-22-9
Cat. No. CS-W005848
Purity≥97%
MDL No.MFCD00270324

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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+
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Methyl 4-oxocyclohexanecarboxylate|CS-W005848

Structure of 6297-22-9

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Description

Methyl 4-oxocyclohexanecarboxylate features a cyclohexanone ring with a strategically positioned ester group, enabling direct functionalization at the C4 carbonyl. This configuration supports efficient downstream transformations in synthetic routes to bioactive molecules and natural product analogs.

Application

Methyl 4-oxocyclohexanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted cyclohexane scaffolds. Its α,β-unsaturated carbonyl system facilitates Michael additions, aldol reactions, and enolate-based functionalizations. The ester group supports selective transformations, while the ketone enables imine formation and reductive amination—key for constructing complex heterocycles and bioactive intermediates. Bench-stable and readily purified, it functions effectively in multi-step syntheses and process-scale applications.

General Information

CAS No. 6297-22-9
Cat. No. CS-W005848
Purity ≥97%
MDL No. MFCD00270324
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂O₃
Molecular Weight None
Synonym(s) Methyl cyclohexanone-4-carboxylate
SMILES O=C(C1CCC(CC1)=O)OC

Computational Chemistry Data

TPSA 43.37
LogP 0.9187
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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Methyl 4-oxocyclohexanecarboxylate

CAS No. 6297-22-9

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