(S,S)-Taddol

HCID 9852051CAS 93379-49-8
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Grundinformationen

Standard-SMILES
CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIKey
OWVIRVJQDVCGQX-NSOVKSMOSA-N
Summenformel
C31H30O4
Durchschnittliche Molmasse
466,6 g/mol
Monoisotopische Masse
466,21440944

Namen und Bezeichner

Bevorzugter Name
(S,S)-Taddol
IUPAC
[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
Englischer Name
(+)-Taddol
Summenformel
C31H30O4
Molmasse
466.57

Namen und Synonyme

93379-49-8(S,s)-taddolRefChem:211183(+)-Taddol((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolaneMFCD00010079(4S,5S)-Taddol[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol(4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanolC31H30O4[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(diphenylmethanol)
Weitere Namen anzeigen
((4S,5S)97.0%(LC)SEEBACH REAGENTbis(diphenylmethanol)(4S,5S)-2,2-Dimethyl-α(+)-4,5-Bis[hydroxy(diphenyLmeso-2,3-Diphenylsuccinonitrile>(+)-2,3-O-ISOPROPYLIDENE-1,1,4,4-TE
(4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol, 97%(S)-TaddolAM62783SCHEMBL4383952((4S,5S)-2,2-Dime(+)-2,3-O-Isopropylidene-1,1,4,4-tetraphenyl-D-threitolDTXSID701317964(+)-45-Bis[hydroxy(diphenyl)methyl]-22-dimethyl-13-dioxolane

Datenbank-Bezeichner

CAS
93379-49-8
PubChem CID
9852051
DTXSID
DTXSID701317964
Nikkaji
J231.888A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,2
Polarare Oberfläche (TPSA)
58,9 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
6
Schwere Atome
35

Physikochemische Eigenschaften

Schmelzpunkt
193 · 193-196 °C(lit.)
Siedepunkt
633.2 · 633.2±50.0 °C(Predicted)
Dichte
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Aggregatzustand
powder to crystal
pka
12.28 · 12.28±0.29(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-.alpha.,.alpha.,.alpha.',.alpha.'-tetraphenyl-, (4S,5S)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
hs_code
29329990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenLigand for enantioselective Lewis-acid mediated Diels-Alder, allyltitanation of aldehydes, and Michael-Mukaiyama additions promoted by chiral Ti-complexes.

Darstellung · 1 Eintrag

synthetischePreparative Methods of (4R,5R)-2,2-Dimethyl-4,5-bis(hydroxydiphenylmethyl)-1,3-dioxolane: chiral titanates are usually prepared by mixing dichlorodiisopropoxytitanium and a chiral 1,4-diol in toluene. Other solvents such as ether and dichloromethane can also be employed. The alcohol exchange reaction takes place immediately at rt. Wherever necessary, liberated isopropyl alcohol is removed by azeotropic removal with toluene. The chiral 1,4-diols are prepared from dimethyl (or diethyl) tartrate by a two-step procedure comprising acetalization followed by the addition of an aryl Grignard reagent.

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