(4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato[1,2-bis(dimethoxy)ethane]titanium(IV) dichloride acetonitrile adduct

Catalog Number

ACM328123042

Product Name

(4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato[1,2-bis(dimethoxy)ethane]titanium(IV) dichloride acetonitrile adduct

Structure

CAS

328123-04-2

Category

Heterocyclic Organic Compound

Synonyms

328123-04-2;(4R,5R)-(-)-2,2-DIMETHYL-ALPHA,ALPHA,ALPHA',ALPHA'-TETRAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATO[1,2-BIS(DIMETHOXY)ETHANE]TITANIUM (IV) DICHLORIDE;MFCD04973054;SC10833;Tetraphenyl-TADDOL-DME-titaniumdichloride;123D042;(4R,5R)-(-)-2,2-Di-Me-tetraphenyl-1,3-dioxolane-4,5-dimethanolato[1,2-bis(diMeO)ethane]Ti(IV) dichloride CH3CN adduct;(4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato(1,2-bis(dimethoxy)ethane)titanium(IV) dichloride;(4R,5R)-(-)-2,2-DIMETHYL-ALPHA,ALPHA,ALPHA',ALPHA'-TETRAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATO[1,2-BIS(DIMETHOXY)ETHANE]TITANIUM(IV) DICHLORIDE ACETONITRILE ADDUCT;

IUPAC Name

acetonitrile;cyclohexa-1,3-dien-1-yl-[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol;dichlorotitanium;1,2-dimethoxyethane;

Molecular Weight

718.535g/mol

Molecular Formula

C37H45Cl2NO6Ti;

Canonical SMILES

CC#N.CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CCC4)(C5=CC=CC=C5)O)C.COCCOC.Cl[Ti]Cl;

InChI

InChI=1S/C31H32O4.C4H10O2.C2H3N.2ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-5-3-4-6-2;1-2-3;;;/h3-13,15-21,27-28,32-33H,14,22H2,1-2H3;3-4H2,1-2H3;1H3;2*1H;/q;;;;;+2/p-2/t27-,28-,31 ;;;;;/m1...../s1;

InChI Key

YTJMLZYQYKUFOH-IWLCBTADSA-L;

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

829

Covalently-Bonded Unit Count

4

Defined Atom Stereocenter Count

2

Exact Mass

717.21g/mol

H-Bond Acceptor

7

H-Bond Donor

2

Heavy Atom Count

47

Monoisotopic Mass

717.21g/mol

Rotatable Bond Count

7

Topological Polar Surface Area

101A^2

Undefined Atom Stereocenter Count

1

MSDS

COA

Spec Sheet