Lot numbers can be found on the outside label of a product:
Ethyl 4-methylenecyclohexanecarboxylate
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CAS No. 145576-28-9
- Cat. No. CS-0151640
- Purity≥96%
- MDL No.MFCD12498694
*For research and further manufacturing use only, not for direct human use.
Structure of 145576-28-9
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General Information
- CAS No. 145576-28-9
- Cat. No. CS-0151640
- Purity ≥96%
- MDL No. MFCD12498694
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₂
- Molecular Weight 168.23
- Synonym(s) ethyl 4-methylidenecyclohexanecarboxylate
- SMILES CCOC(=O)C1CCC(=C)CC1
Description
Ethyl 4-methylenecyclohexanecarboxylate features a rigid cyclohexane core with a strategically positioned methylene group and ester functionality. This structural motif enables direct integration into complex ring systems, serving as a key intermediate in the synthesis of bioactive terpenoids and pharmaceutical scaffolds.
Application
Ethyl 4-methylenecyclohexanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane scaffolds. The exocyclic methylene group facilitates conjugate additions and Diels-Alder reactions, while the ester functionality supports hydrolysis, reduction, or coupling transformations. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex molecular architectures in medicinal chemistry and natural product synthesis.
Synthesis
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Route1
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In-stock
17159-79-4 -
1779-49-3 - ~85%
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In-stock
145576-28-9
References
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Bioorganic and Medicinal Chemistry, , vol. 12, # 21 p. 5719 - 5725
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References
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WO2010/46791 A1, ; Page/Page column 40 ; WO 2010/046791 A1
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Route3
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In-stock
17159-79-4
- ~66%
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In-stock
145576-28-9
References
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WO2006/136245 A1, ; Page/Page column 90 ;
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.2959
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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