(1S,2S,3R,5S)-(+)-2,3-Pinanediol - CAS 18680-27-8
Catalog: |
BB014373 |
Product Name: |
(1S,2S,3R,5S)-(+)-2,3-Pinanediol |
CAS: |
18680-27-8 |
Synonyms: |
(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol; (1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol |
IUPAC Name: | (1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol |
Description: | (1S,2S,3R,5S)-(+)-2,3-Pinanediol (CAS# 18680-27-8) is a bicyclic monoterpene diols that has been shown to induce differentiation of S91 melanoma and PC12 pheochromocytoma cells and thus provide possible therapeutic and sunless tanning use. It is also used in the transformation of isopinocampheol and caryophyllene oxide. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CC1(C2CC1C(C(C2)O)(C)O)C |
InChI: | InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1 |
InChI Key: | MOILFCKRQFQVFS-OORONAJNSA-N |
Boiling Point: | 263.738 °C at 760 mmHg |
Density: | 1.091 g/cm3 |
MDL: | MFCD00077851 |
LogP: | 1.16430 |
Publication Number | Title | Priority Date |
CN-113024588-A | Preparation method of chiral N-Boc-pyrrolidine-3-boric acid compound | 20210322 |
US-2021300920-A1 | KRAS Mutant Protein Inhibitors | 20200317 |
WO-2021185233-A1 | Kras mutant protein inhibitors | 20200317 |
CN-111533675-A | Impurities of heterocyclic boronic acid compounds and methods of controlling the same | 20191129 |
CN-111533675-B | Impurities of heterocyclic boronic acid compounds and methods of controlling the same | 20191129 |
PMID | Publication Date | Title | Journal |
20449393 | 20100328 | Chirality transition in the epoxidation of (-)-alpha-pinene and successive hydrolysis studied by Raman optical activity and DFT | Physical chemistry chemical physics : PCCP |
17628110 | 20070803 | A (-)-sparteine-directed highly enantioselective synthesis of boroproline. Solid- and solution-state structure and properties | The Journal of organic chemistry |
14737658 | 20040107 | Total synthesis of (-)-microcarpalide, a novel microfilament disrupting metabolite | Organic & biomolecular chemistry |
12074655 | 20020627 | Asymmetric alkyldifluoroboranes and their use in secondary amine synthesis | Organic letters |
11559189 | 20010921 | Synthesis of boronic acid analogues of alpha-amino acids by introducing side chains as electrophiles | The Journal of organic chemistry |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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