Lot numbers can be found on the outside label of a product:
2,2-Dimethyl-1,3-dioxan-5-amine
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CAS No. 40137-24-4
- Cat. No. CS-0135339
- Purity≥96%
- MDL No.MFCD09056824
*For research and further manufacturing use only, not for direct human use.
Structure of 40137-24-4
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General Information
- CAS No. 40137-24-4
- Cat. No. CS-0135339
- Purity ≥96%
- MDL No. MFCD09056824
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₃NO₂
- Molecular Weight 131.17
- Synonym(s) 5-amino-2,2-di-methyl-1,3-dioxane
- SMILES NC1COC(C)(C)OC1
Description
2,2-Dimethyl-1,3-dioxan-5-amine features a stable dioxane ring with a tertiary amine at the 5-position, offering enhanced solubility and nucleophilicity. This bench-stable scaffold integrates readily into synthetic sequences requiring polar, nitrogen-containing heterocycles. The geminal dimethyl substitution provides steric protection and improved resistance to hydrolysis.
Application
2,2-Dimethyl-1,3-dioxan-5-amine serves as a stable, bench-ready heterocyclic amine scaffold enabling efficient access to diverse nitrogen-containing building blocks. Its protected diamine functionality exhibits excellent tolerance to standard synthetic transformations, facilitating straightforward derivatization for medicinal chemistry applications. The molecule's crystalline nature and ease of purification make it well-suited for high-throughput screening campaigns and process-scale synthesis.
Synthesis
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Route1
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116-11-0 -
In-stock
534-03-2 - ~%
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In-stock
40137-24-4
References
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Roche Palo Alto LLC Patent: US2008/207655 A1, 2008 ; Location in patent: Page/Page column 16 ; US 20080207655 A1
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Route2
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4728-14-7 - ~%
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In-stock
40137-24-4
References
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Uno, Tetsuo; Beausoleil, Eric; Goldsmith, Richard A.; Levine, Barry H.; Zuckermann, Ronald N. Tetrahedron Letters, 1999 , vol. 40, # 8 p. 1475 - 1478
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Route3
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77-76-9
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In-stock
534-03-2
- ~%
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In-stock
40137-24-4
References
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Jie, Yuanping; Livant, Peter; Li, Hui; Yang, Minmin; Zhu, Wei; Cammarata, Vince; Almond, Philip; Sullens, Tyler; Qin, Yu; Bakker, Eric Journal of Organic Chemistry, 2010 , vol. 75, # 13 p. 4472 - 4479
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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 44.48
- LogP 0.0966
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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