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

Catalog Number	ACM197389472-2
CAS	197389-47-2
Structure
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
Molecular Weight	824.63
Molecular Formula	C47H36Cl2O4Ti
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
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

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