Cas no 122661-59-0 (Ethyl 3-hydroxyadamantane-1-carboxylate)

Ethyl 3-hydroxyadamantane-1-carboxylate is a functionalized adamantane derivative characterized by its rigid polycyclic structure and hydroxyl-carboxylate ester functionality. This compound is of interest in pharmaceutical and material science research due to its potential as a synthetic intermediate for bioactive molecules, leveraging the adamantane scaffold's stability and lipophilicity. The presence of both hydroxyl and ester groups enhances its reactivity, enabling further derivatization for applications in drug design, polymer modification, or ligand synthesis. Its well-defined stereochemistry and high purity make it suitable for precise synthetic applications. The compound’s stability under standard conditions ensures consistent performance in experimental workflows.
Ethyl 3-hydroxyadamantane-1-carboxylate structure
122661-59-0 structure
Product Name:Ethyl 3-hydroxyadamantane-1-carboxylate
CAS No:122661-59-0
MF:C13H20O3
MW:224.296104431152
CID:134905
PubChem ID:14439058
Update Time:2025-05-27

Ethyl 3-hydroxyadamantane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-hydroxyadamantane-1-carboxylate
    • ETHYL 3-HYDROXYADAMANTANCARBOXYLATE
    • Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-hydroxy-, ethyl ester
    • Ethyl 3-hdyroxyadamantane-1-carboxylate
    • SCHEMBL5608298
    • 122661-59-0
    • AKOS015917818
    • Ethyl3-hydroxyadamantane-1-carboxylate
    • DTXSID90560289
    • Ethyl 3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxylate
    • Inchi： 1S/C13H20O3/c1-2-16-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-10,15H,2-8H2,1H3
    • InChI Key： VVWVYPCOMWTLII-UHFFFAOYSA-N
    • SMILES： OC12CC3CC(C1)CC(C(=O)OCC)(C3)C2

Computed Properties

  • Exact Mass: 224.1413
  • Monoisotopic Mass: 224.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.245±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 311.3±25.0 oC (760 Torr),
  • Flash Point: 125.4±15.9 oC,
  • Refractive Index: 1.571
  • Solubility: Very slightly soluble (0.83 g/l) (25 o C),
  • PSA: 46.53

Ethyl 3-hydroxyadamantane-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM276805-5g
Ethyl 3-hydroxyadamantane-1-carboxylate
 122661-59-0 95%
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 $626 2021-06-15
Chemenu
CM276805-5g
Ethyl 3-hydroxyadamantane-1-carboxylate
 122661-59-0 95%
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 $626 2023-02-18
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1762589-1g
Ethyl 3-hydroxyadamantane-1-carboxylate
 122661-59-0 98%
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 ￥2311.00 2024-08-09

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