(4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct

• CAS: 197389-47-2
• Catalog Number: ACM197389472-2
• Category: Other Products
• Molecular Weight: 824.63
• Molecular Formula: C47H36Cl2O4Ti
• Synonyms: Acetonitrile;dichlorotitanium;[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol
• IUPAC Name: acetonitrile;dichlorotitanium;[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol
• Canonical SMILES: CC#N.CC1(NC(C(O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C.Cl[Ti]Cl
• InChI: WINAMCRSRUMNBX-VCYTWFGNSA-L
• InChI Key: InChI=1S/C47H39NO3.C2H3N.2ClH.Ti/c1-45(2)48-43(46(49,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(50,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42;1-2-3;;;/h3-30,43-44,48-50H,1-2H3;1H3;2*1H;/q;;;;+2/p-2/t43-,44-;;;;/m1..../s1
• Appearance: Yellow powder
• Application: Catalyst used in the enantioselective fluorination of β-ketoesters.; ; Versatile catalyst used in the enantioselective 1,2 and 1,4 additions to carbonyl compounds, transfer of allyl groups to aldehydes, cycloadditions and others.
• Complexity: 1180
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 2
• Exact Mass: 824.205g/mol
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 57
• Isomeric SMILES: CC#N.CC1(N[C@H]([C@@H](O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C.Cl[Ti]Cl
• Monoisotopic Mass: 824.205g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 85.5A^2

Custom Reviews

February 6, 2023

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An excellent chiral catalyst
(4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct can effectively catalyze the enantioselective addition of carbonyl compounds.

Custom Q&A

What is molecular formula of (4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

C49H40Cl2N2O3Ti

What is formula weight of (4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

823.63

What is appearance shape of (4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

Powder

What is the color of (4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

yellow

What is the sensitivity of (4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

Air sensitive and moisture sensitive

What is the heavy atom count of ((4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct?

57