Lot numbers can be found on the outside label of a product:
Ethyl (E)-2-hexenoate
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CAS No. 27829-72-7
- Cat. No. CS-W018283
- Purity≥95%
- MDL No.MFCD00036541
*For research and further manufacturing use only, not for direct human use.
Structure of 27829-72-7
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General Information
- CAS No. 27829-72-7
- Cat. No. CS-W018283
- Purity ≥95%
- MDL No. MFCD00036541
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₄O₂
- Molecular Weight 142.20
- Synonym(s) trans-2-Hexenoic Acid Ethyl Ester
- SMILES CCC/C=C/C(OCC)=O
Description
Ethyl (E)-2-hexenoate is a conjugated unsaturated ester featuring a planar (E)-configured double bond between C2 and C3. This geometry imparts rigidity to the backbone, enhancing its utility in stereoselective synthesis. The ethyl ester group offers improved solubility in organic solvents and stability under standard bench conditions. It serves as a key building block for complex olefinic systems, particularly in natural product synthesis and polymer chemistry.
Application
Ethyl (E)-2-hexenoate serves as a versatile α,β-unsaturated ester intermediate in synthetic organic chemistry. Its conjugated enoate system enables reliable Michael additions, Diels-Alder cycloadditions, and transition-metal-catalyzed cross-couplings. The (E)-configuration ensures predictable stereochemistry in downstream transformations, while the ethyl ester group provides stability and ease of purification. This compound functions as a key building block for functionalized carbocycles and heterocycles in natural product and medicinal chemistry synthesis.
Synthesis
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Route1
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41108-83-2 - ~77%
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In-stock
27829-72-7
References
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Minami, Ichiro; Takahashi, Kazuhiko; Shimizu, Isao; Kimura, Tsuneo; Tsuji, Jiro Tetrahedron, 1986 , vol. 42, # 11 p. 2971 - 2978
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Route2
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52194-43-1
- ~86%
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In-stock
27829-72-7
References
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Ballini, Roberto; Fiorini, Dennis; Palmieri, Alessandro Tetrahedron Letters, 2004 , vol. 45, # 38 p. 7027 - 7029
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Route3
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2396-84-1 - ~88%
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123-66-0
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In-stock
27829-72-7
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In-stock
2396-83-0 -
64187-83-3
References
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Zweni, Pumza P.; Alper, Howard Advanced Synthesis and Catalysis, 2006 , vol. 348, # 6 p. 725 - 731
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02
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Signal Word : Danger
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UN#: 3272
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Class : 3
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Packing Group : Ⅲ
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Hazard Statements : H225
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Precautionary Statements : P210-P280-P370+P378-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.9058
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 4
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