Lot numbers can be found on the outside label of a product:
Ethyl 2-Hydroxybutyrate
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CAS No. 52089-54-0
- Cat. No. CS-0185728
- Purity≥97%
- MDL No.MFCD00014407
*For research and further manufacturing use only, not for direct human use.
Structure of 52089-54-0
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General Information
- CAS No. 52089-54-0
- Cat. No. CS-0185728
- Purity ≥97%
- MDL No. MFCD00014407
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₂O₃
- Molecular Weight 132.16
- Synonym(s) None
- SMILES CCC(C(=O)OCC)O
Description
Ethyl 2-hydroxybutyrate is a chiral ester featuring a β-hydroxy functional group, offering enhanced solubility and reactivity in organic synthesis. This bench-stable compound serves as a valuable building block for pharmaceutical intermediates and asymmetric catalysis, where its hydroxyl moiety enables selective derivatization.
Application
Ethyl 2-hydroxybutyrate serves as a versatile chiral building block in synthetic organic chemistry, enabling efficient access to β-hydroxy esters and related heterocyclic scaffolds. Its hydroxyl group facilitates selective derivatization, while the ester functionality supports nucleophilic acyl substitution and reduction protocols. The compound exhibits good bench stability and is readily purified by distillation or column chromatography, making it well-suited for use in medicinal chemistry campaigns and process-scale synthesis.
Synthesis
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Route1
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In-stock
2835-81-6 - ~%
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In-stock
52089-54-0
References
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Arimilli, Murty N.; Becker, Mark M.; Birkus, Gabriel; Bryant, Clifford; Chen, James M.; Chen, Xiaowu; Cihlar, Tomas; Dastgah, Azar; Eisenberg, Eugene J.; Fardis, Maria; Hatada, Marcos; He, Gong-Xin; Jin, Haolun; Kim, Choung U.; Lee, William A.; Lee, Christopher P.; Lin, Kuei-Ying; Liu, Hongtao; MacKman, Richard L.; McDermott, Martin J.; Mitchell, Michael L.; Nelson, Peter H.; Pyun, Hyung-Jung; Rowe, Tanisha D.; Sparacino, Mark; Swaminathan, Sundaramoorthi; Tario, James D.; Wang, Jianying; Williams, Matthew A.; Xu, Lianhong; Yang, Zheng-Yu; Yu, Richard H.; Zhang, Jiancun; Zhang, Lijun Patent: US2005/239054 A1, 2005 ;
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Route2
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64-17-5 -
In-stock
600-15-7 - ~79%
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In-stock
52089-54-0
References
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Horn, Denis H. S.; Nearn, Roland H,; Siddall, John B.; Staal, Gerardus B.; Cerf, David C. Australian Journal of Chemistry, 1983 , vol. 36, # 7 p. 1409 - 1417
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Route3
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10544-63-5
- ~%
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In-stock
52089-54-0
References
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Isayama, Shigeru Bulletin of the Chemical Society of Japan, 1990 , vol. 63, # 5 p. 1305 - 1310
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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 : H227-H302
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Precautionary Statements : P210-P264-P270-P280-P330-P370+P378-P501
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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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