Pivalic acid → HCID 178447534, compound

HRID 1108544Notes

Reaction equation

HRID 1108544 reaction equation
[Cl-].[Cl-].[CH2:3]([C:7]1([Zr+2:12]C2(CCCC)C=CC=C2)[CH:11]=[CH:10][CH:9]=[CH:8]1)[CH2:4][CH2:5][CH3:6].[C:22]([OH:28])(=[O:27])[C:23]([CH3:26])([CH3:25])[CH3:24].C(N(CC)CC)C>C1(C)C=CC=CC=1>[C:22]([O-:28])(=[O:27])[C:23]([CH3:26])([CH3:25])[CH3:24].[C:22]([O-:28])(=[O:27])[C:23]([CH3:26])([CH3:25])[CH3:24].[C:22]([O-:28])(=[O:27])[C:23]([CH3:26])([CH3:25])[CH3:24].[CH2:3]([C:7]1([Zr+3:12])[CH:11]=[CH:10][CH:9]=[CH:8]1)[CH2:4][CH2:5][CH3:6]

Participants

5

Reactant 3

HCID 6417Pivalic acidHCID 8471TriethylamineHCID 178442027HCID 178442027, compound

Product 1

HCID 178447534HCID 178447534, compoundYield 78%

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Procedure

To a solution of bis(n-butylcyclopentadienyl)zirconium dichloride (1.001 g, 2.477 mmol ) and pivalic acid (0.760 g, 7.451 mmol ) in toluene (25 ml) at 25° C. was added triethylamine (0.871 g, 8.610 mmol ) with stirring. A white precipitate formed immediately which was removed by filtration. The title compound was isolated as a light orange oil in 78% yield by evaporating the solvent under vacuum. The title compound such prepared exhibit purity above 95% based on MNR results. 1H NMR (toluene-d8) δ 6.22 (m,2H), 5.97 (m,2H), 2.61 (t,J=7.7 Hz, 2H), 1.51 (m, 2H), 1.29 (m, 2H), 1.11 (s, 27H), 0.87 (t, J=7.2 Hz 3H).

Workup

  1. customA white precipitate formed immediately which
  2. customwas removed by filtration

Sources & evidence

ORD record
ord-dd9774aea844493dae2c63a9fe8c1903
Source dataset
uspto-grants-2000_05
Patent number
US06069109

Reaction notes

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