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  • Regular paperThe chemistry of 3-MERCAPTO-1-PROPANOL (cas 19721-22-3) with group 4 metallocene derivatives. The molecular structure of Cp2∗ZrCl(OCH2CH2CH2SH)

  • Add time:09/01/2019    Source:sciencedirect.com

    Titanocene or permethylzirconocene dichloride reacts with 1 molar equivalent of 3-MERCAPTO-1-PROPANOL (cas 19721-22-3) (HOCH2CH2CH2SH) in the presence of NEt3 to give the monomeric chelate complex Cp2Ti(OCH2CH2CH2S) (1) or the oxygen-bonded monomeric complex Cp2∗ZrCl(OCH2CH2CH2SH) (2), respectively. When Cp2∗Zr(CH3)2 reacts with 1 molar equivalent of HOCH2CH2CH2SH, the oxygen-bonded monomeric complex Cp2∗Zr(CH3)(OCH2CH2CH2SH) (3) is obtained first. The complex 3 loses the methane extremely slowly to give the monomeric chelate chelate complex Cp2∗Zr(OCH2CH2CH2S) (4). However, the addition of HNEt3 Cl to a solution of 4 in C6D6 converts 4 to the oxygen-bonded complex 2 in 24 h. The complex 3 can also be converted to 2 by the addition of HNEt3Cl with a slower rate of 1 week. The dialkoxy complex Cp2∗Zr(OCH2CH2CH2SH)2 (5) is obtained from the reaction of Cp2∗Zr (CH3)2 in meat HOCH2CH2CH2SH. The complex 2 crystallizes in the monoclinic P21/c space group with cell parameters α = 9.128(s) Å. b = 16.276(2) Å, c = 16141(3) Å, β = 93.75(2)°, and z = 4 with R = 0.040 and Rw = 0.049. The molecular structure of 2 shows a short ZrO distance at 1.930(3) Å and a large ZrOC(21) angle at 172.5(3)° which are indications of strong ZrO π bonding.

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    Prev:Lipase-catalyzed chemospecific O-acylation of 3-MERCAPTO-1-PROPANOL (cas 19721-22-3) and 4-mercapto-1-butanol
    Next:Domain structure of binary self-assembled monolayers composed of 3-MERCAPTO-1-PROPANOL (cas 19721-22-3) and 1-tetradecanethiol on Au(1 1 1) prepared by coadsorption)

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