Lot numbers can be found on the outside label of a product:
3,5-Dimethylcyclohexanone
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CAS No. 2320-30-1
- Cat. No. CS-W013493
- Purity≥97%
- MDL No.MFCD00019467
*For research and further manufacturing use only, not for direct human use.
Structure of 2320-30-1
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General Information
- CAS No. 2320-30-1
- Cat. No. CS-W013493
- Purity ≥97%
- MDL No. MFCD00019467
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₄O
- Molecular Weight 126.20
- Synonym(s) 3,5-dimethyl cyclohexanone
- SMILES O=C1CC(C)CC(C)C1
Description
3,5-Dimethylcyclohexanone features a stable cyclohexanone core with two methyl groups positioned at the 3 and 5 ring carbons. This substitution pattern imparts enhanced steric shielding around the carbonyl center, improving resistance to nucleophilic attack. The compound serves as a valuable scaffold in asymmetric synthesis and natural product derivatization due to its defined stereochemical environment and compatibility with standard functional group transformations under mild conditions.
Application
3,5-Dimethylcyclohexanone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane scaffolds. Its stabilized enolizable α-positions facilitate aldol condensations and nucleophilic additions, while the ketone functionality supports reductive amination, Grignard reactions, and cyclization processes. Bench-stable and amenable to standard purification methods, it functions reliably in multistep syntheses for medicinal chemistry and natural product analogs.
Synthesis
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Route1
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5441-52-1 - ~98%
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In-stock
2320-30-1
References
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Lakshmi Kantam; Arundhathi; Likhar, Pravin R.; Damodara Advanced Synthesis and Catalysis, 2009 , vol. 351, # 16 p. 2633 - 2637
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Route2
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1123-09-7 - ~92%
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In-stock
2320-30-1
References
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Larpent, Chantal; Dabard, Renee; Patin, Henri Tetrahedron Letters, 1987 , vol. 28, # 22 p. 2507 - 2510
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Route3
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5441-52-1
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7664-93-9 - ~81%
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In-stock
2320-30-1
References
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Givaudan Corporation Patent: US4457862 A1, 1984 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02,GHS07
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Signal Word : Danger
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UN#: 1993
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Class : 3
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Packing Group : Ⅲ
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Hazard Statements : H225-H319
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Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P370+P378-P501
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 2.0116
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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