Lot numbers can be found on the outside label of a product:
Cyclopropyl 2-methylphenyl ketone
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CAS No. 39615-34-4
- Cat. No. CS-0152977
- Purity≥98%
- MDL No.MFCD03841206
*For research and further manufacturing use only, not for direct human use.
Structure of 39615-34-4
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General Information
- CAS No. 39615-34-4
- Cat. No. CS-0152977
- Purity ≥98%
- MDL No. MFCD03841206
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₂O
- Molecular Weight 160.21
- Synonym(s) CYCLOPROPYL(2-METHYLPHENYL)METHANONE
- SMILES CC1=CC=CC=C1C(=O)C2CC2
Description
Cyclopropyl 2-methylphenyl ketone features a sterically constrained cyclopropyl group fused to a benzoyl scaffold with a para-methyl substituent. This arrangement imparts enhanced stability and modulates electronic properties, enabling selective reactivity in synthetic transformations. The compound serves as a key intermediate in medicinal chemistry applications, particularly in the development of bioactive scaffolds requiring precise steric and electronic tuning.
Application
Cyclopropyl 2-methylphenyl ketone serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant scaffolds through standard carbonyl transformations. Its ortho-methyl substituent enhances metabolic stability and influences conformational rigidity, while the cyclopropyl group imparts distinct steric and electronic properties. The ketone functionality facilitates nucleophilic additions, reductions, and Grignard reactions, supporting diverse downstream derivatization. Bench-stable and readily purified by chromatography, it functions effectively in multi-step syntheses for target-oriented compound libraries.
Synthesis
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Route1
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130250-61-2 -
23719-80-4 - ~%
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In-stock
39615-34-4
References
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Shinagawa, Yuko; Katsushima, Takeo; Nakagawa, Takashi Patent: US2004/6130 A1, 2004 ; Location in patent: Page 28 ;
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Route2
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932-31-0
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5500-21-0
- ~%
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In-stock
39615-34-4
References
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Cloke et al. Journal of the American Chemical Society, 1945 , vol. 67, p. 2155,2157
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Route3
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108-86-1
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765-43-5
- ~%
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In-stock
39615-34-4
References
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Caubere,P.; Guillaumet,G. Bulletin de la Societe Chimique de France, 1972 , p. 4643 - 4649
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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-H315-H319-H335
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Precautionary Statements : P261-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 2.58772
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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