Lot numbers can be found on the outside label of a product:
2,2-Dimethyl-5-carbethoxy-1,3-dioxane
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CAS No. 82962-54-7
- Cat. No. CS-B1510
- Purity≥96%
- MDL No.MFCD11975772
*For research and further manufacturing use only, not for direct human use.
Structure of 82962-54-7
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General Information
- CAS No. 82962-54-7
- Cat. No. CS-B1510
- Purity ≥96%
- MDL No. MFCD11975772
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₆O₄
- Molecular Weight 188.22
- Synonym(s) Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate
- SMILES O=C(OCC)C1COC(C)(C)OC1
Description
This 1,3-dioxane derivative features a sterically hindered dimethyl substitution and a pendant carbethoxy group, enabling stable incorporation into complex synthetic sequences. The electron-deficient dioxane ring facilitates controlled reactivity in conjugate addition and cycloaddition processes under standard conditions.
Application
2,2-Dimethyl-5-carbethoxy-1,3-dioxane serves as a stable, bench-ready building block for the synthesis of substituted cyclohexanones and heterocyclic scaffolds. Its protected 1,3-dioxane core exhibits excellent functional group tolerance and facilitates efficient ring-opening reactions with nucleophiles, enabling straightforward access to polyfunctional intermediates. The carbethoxy group supports subsequent transformations such as hydrolysis and decarboxylation, making it valuable in iterative synthetic sequences for medicinal chemistry and natural product synthesis.
Synthesis
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Route1
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51335-75-2 - ~72%
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In-stock
82962-54-7
References
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Iwata; Maezaki; Hattori; Fujita; Moritani; Takemoto; Tanaka; Imanishi Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 2 p. 339 - 345
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Route2
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In-stock
20605-01-0 - ~%
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In-stock
82962-54-7
References
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Iwata; Maezaki; Hattori; Fujita; Moritani; Takemoto; Tanaka; Imanishi Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 2 p. 339 - 345
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Route3
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51335-75-2
- ~63%
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In-stock
10029-04-6 -
In-stock
82962-54-7
References
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Dubois, Joelle; Foures, Christine; Bory, Sonia; Falcou, Serge; Gaudry, Michel; Marquet, Andree Tetrahedron, 1991 , vol. 47, # 6 p. 1001 - 1012
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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 44.76
- LogP 0.9486
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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