Lot numbers can be found on the outside label of a product:
Adamantane-1,3,5-triol
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CAS No. 99181-50-7
- Cat. No. CS-W017003
- Purity≥98%
- MDL No.MFCD08276262
*For research and further manufacturing use only, not for direct human use.
Structure of 99181-50-7
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General Information
- CAS No. 99181-50-7
- Cat. No. CS-W017003
- Purity ≥98%
- MDL No. MFCD08276262
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₃
- Molecular Weight 184.24
- Synonym(s) None
- SMILES O[C@]12C[C@@]3(O)CC(C2)C[C@](C1)(O)C3
Description
Adamantane-1,3,5-triol features three hydroxyl groups arranged at the tertiary carbon positions of the adamantane scaffold, conferring high thermal and oxidative stability. This rigid, polycyclic structure enables precise spatial positioning for functionalization in medicinal chemistry and materials science applications. The molecule exhibits excellent solubility in polar solvents and maintains integrity under standard bench conditions.
Application
Adamantane-1,3,5-triol serves as a versatile, bench-stable building block for the synthesis of functionalized adamantane derivatives. Its three hydroxyl groups enable selective protection and derivatization, facilitating access to complex polyfunctional scaffolds. The rigid, hydrophobic adamantane core imparts metabolic stability and enhanced lipophilicity, making it valuable in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
281-23-2 - ~66%
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In-stock
99181-50-7
References
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MITSUBISHI GAS CHEMICAL COMPANY, INC.; Ouchi, Takashi; Nishimura, Yoshio Patent: US2013/245329 A1, 2013 ; Location in patent: Paragraph 0030 ;
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References
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Mitsubishi Gas Chemical Company, Inc. Patent: US2002/40170 A1, 2002 ;
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References
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Mitsubishi Gas Chemical Company, Inc. Patent: US2002/40170 A1, 2002 ;
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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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 60.69
- LogP 0.1773
- H_Acceptors 3
- H_Donors 3
- Rotatable_Bonds 0
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Key Words
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