(1R,2R,3S,5R)-(-)-2,3-Pinanediol - CAS 22422-34-0
Catalog: |
BB017598 |
Product Name: |
(1R,2R,3S,5R)-(-)-2,3-Pinanediol |
CAS: |
22422-34-0 |
Synonyms: |
(1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol; (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol |
IUPAC Name: | (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol |
Description: | (1R,2R,3S,5R)-(-)-2,3-Pinanediol (CAS# 22422-34-0) 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. (1R,2R,3S,5R)-(-)-2,3-Pinanediol is a microbial oxidation product of (-)-β-pinene, a flavor and fragrance monoterpene. |
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-/m1/s1 |
InChI Key: | MOILFCKRQFQVFS-BDNRQGISSA-N |
Boiling Point: | 101-102 °C (1 mmHg) |
Density: | 1.091 g/cm3 |
MDL: | MFCD00010365 |
LogP: | 1.16430 |
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 |
CN-112694497-A | Preparation method of 4-isopropylsulfonyl phenylboronic acid | 20201225 |
WO-2021206683-A1 | High-load solution concentrates of dicamba | 20200406 |
WO-2021198458-A1 | Aqueous formulations of dicamba | 20200402 |
CN-112972689-A | Anti-acne composition containing antibiotics and alcohol compounds or vegetable oil | 20200321 |
WO-2021175437-A1 | A new class of flavivirus protease inhibitors | 20200306 |
PMID | Publication Date | Title | Journal |
17628110 | 20070803 | A (-)-sparteine-directed highly enantioselective synthesis of boroproline. Solid- and solution-state structure and properties | The Journal of organic 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 |
11009354 | 20001005 | 1-Aminocyclopropaneboronic acid: synthesis and incorporation into an inhibitor of hepatitis C virus NS3 protease | Organic letters |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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