| 671790-70-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• CAS: 671790-70-8
• 化学式: C₁₅H₂₁ClNP
• 分子量: 281.765
• InChiKey: JDKAIXJHCWNKQF-GOSISDBHSA-N

物化性质

• 沸点：
  370.9±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1,2-dicarba-closo-dodecaborane(12) 、 在 n-BuLi 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis, Structural Characterization, and Reactivity of Rare-Earth Complexes Derived from A New Phosphorus-Bridged Versatile Ligand, ⁱPr₂NP(C₉H₇)(C₂B₁₀H₁₁)

  摘要：

  New phosphorus-bridged ligands incorporating both indenyl and carboranyl moieties were prepared. Reaction of (Pr2NP)-Pr-i(C9H7)Cl (1) with 1 equiv of LiC2B10H10 gave, after treatment with 1 equiv of n-BuLi, the dilithium salt [(Pr2NP)-Pr-i(C9H6)(C2B10H10 )]Li-2(OEt2)(1.5) (2). 2 can be conveniently converted into its neutral counterpart (Pr2NP)-Pr-i(C9H7)(C2B10H10) (4) by treatment with excess dry Me3NHCl in CH2O2. Mixing 2 and 4 in a 1:1 molar ratio afforded quantitatively the monolithium salt [(Pr2NP)-Pr-i(C9H6)(C2B10H10)]Li(DME)(3) (3). Reaction of YbI2 with 1 equiv of 2 gave the organoytterbium(II) complex [eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H)10]Yb(DME)(2) (5). 5 reacted further with 1 equiv of 3 to afford the organoytterbium(III) complex [{eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)}(2)Yb][Li(THF)(3)(Et2O)] (6). In sharp contrast, treatment of SmI2 with 1 equiv of 2 generated the trivalent organosamarium complex [eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)(2)Sm] [Li(DME)(3)] (7). Reaction of LnCl(3) with 2 equiv of 2 gave the ionic complexes [{eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)}(2)Ln][Li(L-1)(n)L-2]] (L-1= L-2 = DME, n = 2, Ln = Sm (7), Nd (8), Er (9); L, = DME, L-2 = THF, n = 2, Ln = Y (10)). Reaction between equimolar amounts of LnCl(3) and 2 resulted in the isolation of the lanthanocene chlorides [{[eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)]LnCl}(2)(mu-Cl)(3)Li(DME)][Li(DME)(3)](2) (Ln = Er (11), Y (12)). The chloro groups in these complexes can be replaced by other moieties. For example, reaction of 12 with 2 equiv of (KCHPh)-Ph-2 afforded the unexpected compound {[eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)](2)Y}{(eta(6)-C6H5-CH3)(2)K} (13) and treatment of 12 with 2 equiv of NaBH4 produced the organoyttrium hydrides [{eta(5):sigma-(Pr2NP)-Pr-i(C9H6)(C2B10H10)}Y{(mu-H)(3)BH}(2)][Li(DME)(3)] (14). All complexes were fully characterized by various spectroscopic techniques and elemental analyses. The structures of some of the compounds were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om034268l