Lot numbers can be found on the outside label of a product:
2-Isobutyrylcyclohexanone
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CAS No. 39207-65-3
- Cat. No. CS-W007715
- Purity≥95%
- MDL No.MFCD00466185
*For research and further manufacturing use only, not for direct human use.
Structure of 39207-65-3
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General Information
- CAS No. 39207-65-3
- Cat. No. CS-W007715
- Purity ≥95%
- MDL No. MFCD00466185
- Storage 4°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₂
- Molecular Weight 168.23
- Synonym(s) 2-Isobutyryl cyclohexanone
- SMILES CC(C)C(C1CCCCC1=O)=O
Description
1-Nonylamine is used as pharmaceutical intermediate. It is also used as a building block.
Application
2-Isobutyrylcyclohexanone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane derivatives. Its α,β-unsaturated ketone motif facilitates Michael additions and aldol reactions under mild conditions. The isobutyryl group enhances stability and offers orthogonal reactivity for downstream transformations, supporting applications in natural product synthesis and medicinal chemistry scaffolds.
Synthesis
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Route1
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108-94-1 -
79-30-1
- ~38%
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In-stock
39207-65-3
References
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Corr, Michael J.; Roydhouse, Mark D.; Gibson, Kirsty F.; Zhou, Sheng-Ze; Kennedy, Alan R.; Murphy, John A. Journal of the American Chemical Society, 2009 , vol. 131, # 49 p. 17980 - 17985
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Route2
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547-63-7
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108-94-1
- ~40%
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In-stock
39207-65-3
References
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Shafir, Alexandr; Buchwald, Stephen L. Journal of the American Chemical Society, 2006 , vol. 128, # 27 p. 8742 - 8743
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Route3
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In-stock
670-80-4 -
79-30-1
- ~%
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In-stock
39207-65-3
References
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Murray, Ewan J.; Crowley, Rebecca C.; Truman, Alex; Clarke, Simon R.; Cottam, James A.; Jadhav, Gopal P.; Steele, Victoria R.; O'Shea, Paul; Lindholm, Catharina; Cockayne, Alan; Chhabra, Siri Ram; Chan, Weng C.; Williams, Paul Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2813 - 2819
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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 : H302-H319
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.14
- LogP 1.9708
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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