1-Adamantanemethanol - CAS 770-71-8
Catalog: |
BB035794 |
Product Name: |
1-Adamantanemethanol |
CAS: |
770-71-8 |
Synonyms: |
1-adamantylmethanol |
IUPAC Name: | 1-adamantylmethanol |
Description: | 1-Adamantanemethanol (CAS# 770-71-8) is used as a reagent in the synthesis of adamantane and noradamantane based histone deacetylase (HDAC) inhibitors for the treatment of cancer. It is also used as a reagent in the synthesis of (1-adamantyl)methyl glycidyl ether, a versatile building block for living polymerization. |
Molecular Weight: | 166.26 |
Molecular Formula: | C11H18O |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)CO |
InChI: | InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2 |
InChI Key: | MDVGOOIANLZFCP-UHFFFAOYSA-N |
Boiling Point: | 263.1 °C at 760 mmHg |
Density: | 1.088 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00074751 |
LogP: | 2.19510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021146391-A1 | Reagents and their use for modular enantiodivergent synthesis of câ€"p bonds | 20200116 |
WO-2021115503-A1 | Lipophosphonoxins, their preparation and use | 20191212 |
WO-2021113808-A1 | Cftr-modulating arylamides | 20191205 |
CN-112859516-A | Material for forming organic film, method for forming pattern, and polymer | 20191128 |
EP-3828630-A1 | Material for forming organic film, patterning process, and polymer | 20191128 |
PMID | Publication Date | Title | Journal |
21837189 | 20110701 | 1-(Bromo-meth-yl)adamantane | Acta crystallographica. Section E, Structure reports online |
17243712 | 20070216 | Development of adamantan-1-yl-methoxy-functionalized 1-deoxynojirimycin derivatives as selective inhibitors of glucosylceramide metabolism in man | The Journal of organic chemistry |
16852171 | 20050519 | Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives | The journal of physical chemistry. B |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.135765193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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