Lot numbers can be found on the outside label of a product:
Methyl 5-oxohexanoate
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CAS No. 13984-50-4
- Cat. No. CS-0090564
- Purity≥96%
- MDL No.MFCD00038507
*For research and further manufacturing use only, not for direct human use.
Structure of 13984-50-4
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General Information
- CAS No. 13984-50-4
- Cat. No. CS-0090564
- Purity ≥96%
- MDL No. MFCD00038507
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₂O₃
- Molecular Weight 144.17
- Synonym(s) None
- SMILES CC(CCCC(OC)=O)=O
Description
Methyl 5-oxohexanoate is a versatile β-keto ester featuring a ketone group at the C5 position and a methyl ester terminus. This structural motif enables efficient enolization and participation in Claisen condensations, Michael additions, and asymmetric synthesis. The compound exhibits favorable stability under standard conditions and integrates readily into complex molecular architectures.
Application
Methyl 5-oxohexanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-keto ester derivatives and functionalized heterocycles. Its α,β-unsaturated carbonyl motif facilitates Michael additions, aldol reactions, and cyclizations under mild conditions. The methyl ester group provides stability and ease of purification, while the ketone functionality supports subsequent transformations including enolate alkylations and reductive couplings. This compound functions reliably in multi-step syntheses for natural product analogs and pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
3128-06-1 -
74-88-4 - ~90%
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In-stock
13984-50-4
References
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KUMIAI CHEMICAL INDUSTRY CO., LTD.; Ihara Chemical Industry Co., Ltd. Patent: EP1439169 A1, 2004 ; Location in patent: Page 101 ;
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References
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ASKA Pharmaceutical Co., Ltd. Patent: EP1724267 A1, 2006 ; Location in patent: Page/Page column 75 ;
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Route3
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67-56-1
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In-stock
3128-06-1
- ~92%
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In-stock
13984-50-4
References
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Bates, Hans Aaron Journal of the American Chemical Society, 1982 , vol. 104, # 9 p. 2490 - 2493
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.9187
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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