Lot numbers can be found on the outside label of a product:
Methyl 4-oxocyclohexanecarboxylate
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CAS No. 6297-22-9
- Cat. No. CS-W005848
- Purity≥97%
- MDL No.MFCD00270324
*For research and further manufacturing use only, not for direct human use.
Structure of 6297-22-9
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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
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.
Synthesis
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Route1
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In-stock
3618-03-9 - ~99%
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In-stock
6297-22-9
References
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Cregge; Lentz; Sabol Journal of Organic Chemistry, 1991 , vol. 56, # 5 p. 1758 - 1763
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Route2
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In-stock
99-76-3 - ~%
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In-stock
6297-22-9
References
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Australian Journal of Chemistry, , vol. 16, p. 112 - 122
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Route3
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108-95-2 - ~%
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In-stock
6297-22-9
References
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US4755617 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H227-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.9187
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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