Lot numbers can be found on the outside label of a product:
Ethyl (S)-3-hydroxybutanoate
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CAS No. 56816-01-4
- Cat. No. CS-0112519
- Purity≥97%
- MDL No.MFCD00066206
*For research and further manufacturing use only, not for direct human use.
Structure of 56816-01-4
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General Information
- CAS No. 56816-01-4
- Cat. No. CS-0112519
- Purity ≥97%
- MDL No. MFCD00066206
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₂O₃
- Molecular Weight None
- Synonym(s) Ethyl (S)-3-hydroxybutyrate
- SMILES C[C@H](O)CC(OCC)=O
Description
Ethyl (S)-3-hydroxybutanoate is a chiral ester featuring a stereodefined hydroxyl group at the C3 position, enabling precise incorporation into asymmetric synthesis. This bench-stable reagent integrates readily into polyhydroxyalkanoate biosynthesis pathways and serves as a key building block for enantioselective transformations.
Application
Ethyl (S)-3-hydroxybutanoate serves as a chiral building block for the synthesis of bioactive molecules and pharmaceutical intermediates. Its well-defined stereochemistry enables stereoselective transformations, including oxidation to the corresponding ketone or conversion to enantioselective β-alkylated products. The molecule exhibits bench stability, facile purification, and compatibility with standard functional group manipulations, making it a reliable reagent in asymmetric synthesis workflows.
Synthesis
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Route1
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25738-65-2 - ~%
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In-stock
56816-01-4
References
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Tetrahedron Letters, , vol. 27, # 44 p. 5405 - 5408
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Route2
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In-stock
24915-95-5 - ~%
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In-stock
56816-01-4
References
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Helvetica Chimica Acta, , vol. 95, # 10 p. 1799 - 1808,10
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Route3
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In-stock
609-15-4 - ~0%
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In-stock
56816-01-4
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110444-43-4
References
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Hamdani, Mourad; Jeso, Bernard De; Deleuze, Herve; Saux, Annie; Maillard, Bernard Tetrahedron: Asymmetry, 1993 , vol. 4, # 6 p. 1233 - 1236
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Safety Information
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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 46.53
- LogP 0.3204
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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