(R,R)-Duthaler-Hafner reagent

Base Information

• Chemical Name: (R,R)-Duthaler-Hafner reagent
• CAS No.: 132068-98-5
• Molecular Formula: C36H35ClO4Ti 5*
• Molecular Weight: 614.98
• European Community (EC) Number: 621-294-2
• Mol file: 132068-98-5.mol

Synonyms:(R,R)-Duthaler-Hafner reagent;132068-98-5;(4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium

Chemical Property of (R,R)-Duthaler-Hafner reagent

Chemical Property:

• Melting Point: 209-213 °C
• PSA: 64.58000
• LogP: 4.57580
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 612.1546779
• Heavy Atom Count: 42
• Complexity: 587

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]
• Isomeric SMILES: CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]
• Uses: A novel highly enantioselective allyl-transfer reagent. Excellent regio-, diastereo-, and enantioselectivities (usually >95% ee, >95% de) are obtained for the addition of allyl nucleophiles to aldehydes. Although this reagent is used in stoichiometric amounts, the chiral ligand and monocyclopentadienyltitanium trichloride can be easily recovered.