| 148684-63-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 148684-63-3；148632-31-9
• 化学式: C₈H₁₆Cl₄N₂O₂Pt
• 分子量: 509.119
• InChiKey: HBUWIXASEGLMID-LINFXWKISA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-氯乙醇 、 bis(acetonitrile)dichloroplatinum(II) 在 N(C₂H₅)3 作用下， 以 二氯甲烷 为溶剂， 生成 、 、 、 trans-Cl₂Pt{NC(Me)OCH₂CH₂}2
  参考文献：
  名称：

  Conversion of nitriles into Δ²-1,3-oxazolines in platinum(II) complexes. Crystal structure of trans-[PtCl₂{NC(Bu^t)OCH₂CH₂}₂]

  摘要：

  The reactions of cis- and trans-[PtCl2(NCR)2] (R = p-MeC6H4, p-CF3C6H4, o-MeC6H4, Et, Pr(n), Pr(i) or Bu(t)) complexes with 2 equivalents of -OCH2CH2Cl, generated by deprotonation of HOCH2CH2Cl with LiBu(n), afford in high yield the bis(DELTA2-1,3-oxazoline) derivatives cis-and trans-[PtCl2{N=C(R)OCH2CH2}2]. The complexes have been characterized by their elemental analyses, IR, H-1 NMR, C-13-{H-1} NMR and FAB mass spectra. The structure of trans-[PtCl2{N=C(But)OCH2CH2}2] was established also by X-ray crystallography: monoclinic, space group P2(1)/n, a = 11.233(2), b = 8.741(2), c = 9.394(2) angstrom, beta = 101.61(3)degrees and Z = 2; R = 0.038 (R' = 0.042) for 2514 measured reflections with I greater-than-or-equal-to 3sigma(I). The N-C(R) and (R)C-O bond distances of 1.284(5) and 1.335(5) angstrom suggest that there is extensive electron delocalization within the N-C(R)-O system. The co-ordination geometry around Pt(II) is planar and the oxazoline rings are only slightly twisted. The formation of DELTA2-1,3-oxazolines from platinum(II)-co-ordinated nitriles has also been examined using HOCH2CH2Cl in the presence of the weak base NEt3. These reactions proceed through the initial formation of the bis(imido ester) complexes [PtCl2{NH= C(R)OCH2CH2Cl}2], present as their (Z,Z), (EE) and (E,Z) conformers, which slowly convert to the final cyclic DELTA2-1,3-oxazoline derivatives.

  DOI：

  10.1039/dt9930000959