Lot numbers can be found on the outside label of a product:
methyl 4-oxo-4-phenylbutanoate
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CAS No. 25333-24-8
- Cat. No. CS-0067775
- Purity≥95%
- MDL No.MFCD00014906
*For research and further manufacturing use only, not for direct human use.
Structure of 25333-24-8
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General Information
- CAS No. 25333-24-8
- Cat. No. CS-0067775
- Purity ≥95%
- MDL No. MFCD00014906
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₂O₃
- Molecular Weight 192.21
- Synonym(s) Methyl 4-Oxo-4-phenylbutyrate
- SMILES O=C(OC)CCC(C1=CC=CC=C1)=O
Description
Methyl 4-oxo-4-phenylbutanoate features a ketone-bearing benzylic center flanked by an ester group, enabling direct functionalization at the α-position. This structural motif supports efficient C–C bond formation in synthesis, particularly in Michael additions and aldol-type reactions. The compound exhibits enhanced stability under standard bench conditions and integrates readily into multi-step sequences for complex molecule assembly.
Application
Methyl 4-oxo-4-phenylbutanoate serves as a versatile synthon in synthetic organic chemistry, enabling efficient access to substituted cyclohexanones and functionalized heterocycles via Michael addition and intramolecular aldol cyclization. Its α,β-unsaturated ketone motif exhibits robust reactivity in standard conjugate addition protocols, while the ester group permits selective reduction or hydrolysis for downstream transformations. Bench-stable and readily purified by flash chromatography, it functions as a key building block in the synthesis of bioactive scaffolds and complex natural product intermediates.
Synthesis
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Route1
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In-stock
2051-95-8 - ~99%
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In-stock
25333-24-8
References
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Currie, Mark G.; Jones, Steven W.; Senanayake, Chrisantha H.; Lu, Zhi-Hiu Patent: US2003/96019 A1, 2003 ;
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Route2
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100-52-7 -
292638-85-8
- ~97%
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In-stock
25333-24-8
References
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Jo, Eun-Ae; Jun, Chul-Ho European Journal of Organic Chemistry, 2006 , # 11 p. 2504 - 2507
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References
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Goossen, Lukas J.; Ghosh, Keya European Journal of Organic Chemistry, 2002 , # 19 p. 3254 - 3267
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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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 1.8225
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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