Lot numbers can be found on the outside label of a product:
Isoxazolidine hydrochloride
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CAS No. 39657-45-9
- Cat. No. CS-0179756
- Purity≥97%
- MDL No.MFCD11100465
*For research and further manufacturing use only, not for direct human use.
Structure of 39657-45-9
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General Information
- CAS No. 39657-45-9
- Cat. No. CS-0179756
- Purity ≥97%
- MDL No. MFCD11100465
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₈ClNO
- Molecular Weight 109.55
- Synonym(s) 1,2-Oxazolidine hydrochloride
- SMILES [H]Cl.O1NCCC1
Description
Isoxazolidine hydrochloride offers a stable, moisture-tolerant scaffold for synthetic applications. This heterocyclic compound integrates readily into complex molecular architectures due to its reactive C–N bond and defined stereochemistry. Its crystalline form enables straightforward handling under standard bench conditions, facilitating use in medicinal chemistry and combinatorial synthesis workflows.
Application
Isoxazolidine hydrochloride serves as a stable, bench-ready synthon for the construction of isoxazole heterocycles and related bioactive scaffolds. Its functional group tolerance enables reliable use in multistep synthesis, while the protonated form enhances solubility and simplifies purification. Functions as a key intermediate in the development of nitrogen-containing heterocycles relevant to medicinal chemistry and agrochemical research.
Synthesis
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Route1
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142-28-9 - ~77%
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In-stock
39657-45-9
References
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Dow AgroSciences LLC Patent: US2010/222221 A1, 2010 ; Location in patent: Page/Page column 7 ;
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Route2
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54020-55-2
- ~67%
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In-stock
39657-45-9
References
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Bhat, J. Ishwara; Clegg, William; Maskill, Howard; Elsegood, Mark R.J.; Menneer, Iain D.; Miatt, Peter C. Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 7 p. 1435 - 1446
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Route3
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In-stock
109-64-8 - ~%
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In-stock
39657-45-9
References
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Hine, Jack; Evangelista, Ramon A. Journal of the American Chemical Society, 1980 , vol. 102, # 5 p. 1649 - 1655
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 21.26
- LogP 0.3331
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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