Lot numbers can be found on the outside label of a product:
4-Oxopentyl acetate
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CAS No. 5185-97-7
- Cat. No. CS-0089169
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5185-97-7
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General Information
- CAS No. 5185-97-7
- Cat. No. CS-0089169
- Purity ≥95%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₂O₃
- Molecular Weight 144.17
- Synonym(s) ACETOPROPYLACETATE
- SMILES CC(CCCOC(C)=O)=O
Description
4-Oxopentyl acetate is a bifunctional acetylating agent featuring a ketone and ester group in close proximity. This arrangement enables selective derivatization of nucleophiles in synthetic sequences, particularly useful for introducing acetyl moieties into complex frameworks under mild conditions. The molecule combines reactivity with stability, facilitating clean transformations without significant side reactions.
Application
4-Oxopentyl acetate serves as a versatile acylating agent and synthetic intermediate in organic synthesis, enabling efficient introduction of both ketone and ester functionalities. Its stability under standard bench conditions and compatibility with common reaction protocols facilitate straightforward functional group manipulation. This compound functions effectively in the construction of complex carbonyl-containing architectures, including key intermediates for bioactive heterocycles and pharmaceutical scaffolds.
Synthesis
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Route1
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1071-73-4 -
75-36-5
- ~69%
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In-stock
5185-97-7
References
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Pennwalt Corporation Patent: US4218370 A1, 1980 ;
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Route2
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18381-22-1
- ~80%
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In-stock
5185-97-7
References
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Nishimura, Takahiro; Onoue, Tomoaki; Ohe, Kouichi; Uemura, Sakae Journal of Organic Chemistry, 1999 , vol. 64, # 18 p. 6750 - 6755
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Route3
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In-stock
626-95-9 - ~6%
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1071-73-4
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In-stock
5185-97-7
References
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Espenson; Zhu; Zauche Journal of Organic Chemistry, 1999 , vol. 64, # 4 p. 1191 - 1196
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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-P330-P362+P364-P405-P501
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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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