Lot numbers can be found on the outside label of a product:
2-(4-Oxocyclohexyl)-1h-isoindole-1,3(2h)-dione
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CAS No. 104618-32-8
- Cat. No. CS-0116979
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 104618-32-8
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General Information
- CAS No. 104618-32-8
- Cat. No. CS-0116979
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₃NO₃
- Molecular Weight 243.26
- Synonym(s) 4-Phthalimidocyclohexanone
- SMILES O=C1N(C2CCC(CC2)=O)C(C3=C1C=CC=C3)=O
Description
This bicyclic lactam features a cyclohexyl ketone moiety fused to an isoindoline-1,3-dione core, delivering enhanced structural rigidity and tunable electronic properties. The oxocyclohexyl group imparts steric bulk and modulates reactivity, while the electron-deficient quinoid system enables efficient coupling in transition-metal-catalyzed transformations. Bench-stable and compatible with standard synthetic protocols, this scaffold serves as a valuable building block for bioactive molecule design.
Application
2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione serves as a versatile building block for heterocyclic synthesis, enabling efficient access to fused polycyclic scaffolds via standard cycloaddition and functional group interconversions. Its cyclohexanone moiety offers defined regiochemistry and stability under common reaction conditions, facilitating downstream derivatization in medicinal chemistry campaigns. The isoindoline core exhibits robust bench stability and compatibility with diverse reaction environments.
Synthesis
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Route1
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104618-31-7 - ~96%
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In-stock
104618-32-8
References
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CHIRAL QUEST, INC.; WEI, Yuan; LI, Tianqiao; CHI, Yongxiang; ZHU, Jingyang Patent: WO2010/78250 A1, 2010 ; Location in patent: Page/Page column 12 ;
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Route2
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1252607-42-3 - ~97%
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In-stock
104618-32-8
References
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AC Immune, S.A. Patent: US2011/280808 A1, 2011 ; Location in patent: Page/Page column 59 ;
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Route3
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In-stock
99337-98-1 - ~95%
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In-stock
104618-32-8
References
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Glennon, Richard A.; Hong, Seoung-Soo; Bondarev, Mikhail; Law, Ho; Dukat, Malgorzata; Rakhit, Suman; Power, Patricia; Fan, Ermei; Kinneau, Diana; Kamboj, Rajender; Teitler, Milt; Herrick-Davis, Katharine; Smith, Carol Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 314 - 322
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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-H317
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Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 54.45
- LogP 1.7943
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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