Pivalic acid → HCID 178447532, compound

HRID 395249Notes

Reaction equation

HRID 395249 reaction equation
[Cl-].[Cl-].[CH3:3][C:4]1([Zr+2:10]C2(C)C=CC(C)=C2)[CH:8]=[CH:7][C:6]([CH3:9])=[CH:5]1.[C:18]([OH:24])(=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20].C(N(CC)CC)C>C1(C)C=CC=CC=1>[C:18]([O-:24])(=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20].[C:18]([O-:24])(=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20].[C:18]([O-:24])(=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20].[CH3:3][C:4]1([Zr+3:10])[CH:8]=[CH:7][C:6]([CH3:9])=[CH:5]1

Participants

5

Reactant 3

HCID 6417Pivalic acidHCID 8471TriethylamineHCID 178427809HCID 178427809, compound

Product 1

HCID 178447532HCID 178447532, compoundYield 88%

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Procedure

To a solution of bis(1,3-dimethylcyclopentadienyl)zirconium dichloride (1.390 g, 3.99 mmol) and pivalic acid (1.520 g, 14.9 mmol) in toluene at 25° C. was added neat triethylamine (1.815 g, 18.10 mmol) with stirring. A white precipitate formed immediately which was removed by filtration. The compound was isolated as a pale-yellow powder in 88% yield and exhibited purity above 99% based on NMR results. 1H NMR (toluene-d8): δ 5.84 (m, 2H), 5.53 (m, 1H), 2.18 (s, 6H), 1.13 (s, 27H).

Workup

  1. customA white precipitate formed immediately which
  2. customwas removed by filtration
  3. customThe compound was isolated as a pale-yellow powder in 88% yield and exhibited purity above 99%
  4. customresults

Sources & evidence

ORD record
ord-35c59db957b941d19831122a04e3df5d
Source dataset
uspto-grants-2003_08
Patent number
US06605563B1

Reaction notes

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