Lot numbers can be found on the outside label of a product:
Benzyl pent-4-enoate
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CAS No. 113882-48-7
- Cat. No. CS-0339287
- Purity≥97%
- MDL No.MFCD27941690
*For research and further manufacturing use only, not for direct human use.
Structure of 113882-48-7
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General Information
- CAS No. 113882-48-7
- Cat. No. CS-0339287
- Purity ≥97%
- MDL No. MFCD27941690
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₄O₂
- Molecular Weight 190.24
- Synonym(s) Pent-4-enoic acid benzyl ester
- SMILES C=CCCC(=O)OCC1=CC=CC=C1
Description
Benzyl pent-4-enoate features a conjugated enoate system linked to a benzyl ester, enabling efficient integration into cross-coupling and cycloaddition workflows. This electron-deficient alkene derivative offers enhanced reactivity under mild conditions while maintaining bench-stable handling characteristics.
Application
Benzyl pent-4-enoate serves as a versatile synthetic intermediate featuring a conjugated enoate system and a benzyl ester group. It facilitates efficient Michael additions, Diels–Alder cycloadditions, and palladium-catalyzed cross-couplings due to its well-defined reactivity and bench stability. The benzyl ester enables straightforward deprotection under mild hydrogenolysis conditions, making it a practical choice for building complex scaffolds in medicinal chemistry and natural product synthesis.
Synthesis
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Route1
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In-stock
591-80-0 -
100-39-0 - ~93%
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In-stock
113882-48-7
References
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Hogg, J. Heather; Ollmann, Ian R.; Wetterholm, Anders; Andberg, Martina Blomster; Haeggstroem, Jesper; Samuelsson, Bengt; Wong, Chi-Huey Chemistry - A European Journal, 1998 , vol. 4, # 9 p. 1698 - 1713
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Route2
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81867-37-0
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2622-05-1
- ~92%
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In-stock
113882-48-7
References
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Hirano, Koji; Fujita, Kazuya; Shinokubo, Hiroshi; Oshima, Koichiro Organic Letters, 2004 , vol. 6, # 4 p. 593 - 595
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Route3
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81867-37-0
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927-77-5
- ~90%
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In-stock
113882-48-7
References
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Hirano, Koji; Fujita, Kazuya; Shinokubo, Hiroshi; Oshima, Koichiro Organic Letters, 2004 , vol. 6, # 4 p. 593 - 595
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.696
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 5
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