(S)-1,1,2-Triphenyl-1,2-ethanediol - CAS 108998-83-0
Catalog: |
BB002368 |
Product Name: |
(S)-1,1,2-Triphenyl-1,2-ethanediol |
CAS: |
108998-83-0 |
Synonyms: |
(2S)-1,1,2-triphenylethane-1,2-diol; (2S)-1,1,2-triphenylethane-1,2-diol |
IUPAC Name: | (2S)-1,1,2-triphenylethane-1,2-diol |
Description: | (S)-1,1,2-Triphenyl-1,2-ethanediol (CAS# 108998-83-0) is an intermediate used to prepare triphenylaminoethanol stereoisomers and Ti complexes and catalyst activity in enantioselective addition and cyclization reactions. |
Molecular Weight: | 290.36 |
Molecular Formula: | C20H18O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O |
InChI: | InChI=1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1 |
InChI Key: | GWVWUZJOQHWMFB-IBGZPJMESA-N |
Boiling Point: | 452.3 °C at 760 mmHg |
Melting Point: | 125-127 °C |
Purity: | 99 % |
Density: | 1.196 g/cm3 |
Appearance: | Powder or crystals |
Storage: | Room temperature. |
MDL: | MFCD00075492 |
LogP: | 3.65610 |
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-108250042-A | (S)-(-) preparation method of -1,1,2- triphenyls -1,2- ethylene glycol | 20180314 |
CN-108250042-B | Preparation method of (S) - (-) -1,1, 2-triphenyl-1, 2-glycol | 20180314 |
CN-109195954-A | The chiral resolution and its eutectic of the intermediate of Wo Leisheng | 20160606 |
EP-3464250-A1 | Chiral resolution of an intermediate of suvorexant and cocrystals thereof | 20160606 |
JP-2019517585-A | Chiral resolution of suvorexant intermediate and its co-crystal | 20160606 |
PMID | Publication Date | Title | Journal |
18080537 | 20070914 | Polymorphism of (S)-triphenylglycol: kinetic dependent transformation of a new multipolymorphic system | Chemical communications (Cambridge, England) |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.130679813 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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