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| 1000592-02-8

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1000592-02-8
化学式
C21H20Cl2NPPt
mdl
——
分子量
583.356
InChiKey
XYEXDMRAYSEOMJ-UHFFFAOYSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    参考文献:
    名称:
    P,N-Chelate Complexes of Pd(II) and Pt(II) Based on a Phosphaalkene Motif:  A Catalyst for the Overman−Claisen Rearrangement
    摘要:
    The reaction of E/Z-MesP=C(Ph)(Py) (1, Mes = 2,4,6-Me(3)C(6)H(2)-) with (cod)PtCl(2) or (cod)PdCl(2) affords P,N-chelate complexes [MesP C(Ph)(Py)PtCl(2)] (2a) and [MesP=C(Ph)(Py)PdCl(2)] (2b), respectively. Compounds 2a and 2b were fully characterized spectroscopically, and both were characterized by X-ray crystallography. The molecular structures exhibited almost identical metrical parameters. The P=C bond lengths in 2a and 2b [1.672(4) and 1.675(3) A, respectively] were shortened substantially with respect to that of 1 [1.7043(16) A]. Complex 2b was explored as a catalyst for the Overman-Claisen rearrangement. Several allyl trichloroacetimidate substrates [HN=C(CCl(3))OCH(2)CH=CHR(1): 3a, R(1) = Me; 3b, R(1) = n-Pr; 3c, R(1) = n-Hep; 3d, R(1) = CH(2)CH(2)Ph; 3e, R(1) = i-Pr] were successfully rearranged to their respective branched amides [H(2)C=CHCH(R(1))NHC(O)CCl(3): 4a-e] using 5 mol % 2b as catalyst. Isolated yields ranged from a low of 33% for the bulky 4e to a high of 91% for 4a.
    DOI:
    10.1021/om700784x
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