1-P(S)(i-Pr)2-2-NMe2-indene | 808760-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-P(S)(i-Pr)2-2-NMe2-indene
• 英文别名: 1-PS(iPr)2-2-NMe2-indene
• CAS: 808760-33-0
• 化学式: C₁₇H₂₆NPS
• 分子量: 307.44
• InChiKey: DUIUVWBBHNVBOD-KRWDZBQOSA-N

物化性质

• 沸点：
  427.8±55.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  五羰基溴化锰(I) 、 1-P(S)(i-Pr)2-2-NMe2-indene 在 n-butyllithium 作用下， 以 not given 为溶剂， 以96%的产率得到[(η5-(2-NMe2-3-P(S)(i-Pr)2-indene))Mn(CO)3]
  参考文献：
  名称：

  Structurally diverse Rh(i) and Mn(i) complexes derived from the new ambidentate indene ligand, (1-{iPr2P(S)}-2-{NMe2})C9H6

  摘要：

  我们开发出了一种新的茚基配体，其特点是具有悬垂的硫化膦和胺供体片段；Rh(I) 以 κ2-[N,S] 方式与配体的中性形式配位，而配体的阴离子形式则分别以 κ2-[C,S] 和 η5 模式与 Rh(I) 和 Mn(I) 结合。

  DOI：

  10.1039/b410328a

文献信息

• Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand:  Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies
  作者：Dominik Wechsler、Anne Myers、Robert McDonald、Michael J. Ferguson、Mark Stradiotto

  DOI：10.1021/ic060127a

  日期：2006.5.1

  Treatment of 1-PiPr2-indene or 1-PiPr2-2-NMe2-indene (1a) with elemental sulfur afforded 3-iPr2P(S)-indene or 1-iPr2P(S)-2-NMe2-indene (4a) in 81% and 85% isolated yield, respectively. Addition of 4a to [(COD)M(THF)2]+BF4- afforded the corresponding [(COD)M(kappa2-N,S-4a)]+BF4- complexes (M = Rh, 5a, 76%; M = Ir, 5b, 59%; COD = eta4-1,5-cyclooctadiene), which were found to exhibit temperature-dependent

  用元素硫处理1-PiPr2-茚或1-PiPr2-2-NMe2-茚（1a）在81中得到3-iPr2P（S）-茚或1-iPr2P（S）-2-NMe2-茚（4a） ％和85％的分离产率。向[（COD）M（THF）2] + BF4-添加4a，得到相应的[（COD）M（kappa2-N，S-4a）] + -复合物（M = Rh，5a，76％; M ＝ Ir，5b，59％； COD ＝ eta4-1，5-环辛二烯），发现它们显示出随温度变化的NMR光谱特征，该特征根据涉及M-NMe 2离解的动态过程，围绕茚基-的旋转而合理化。 NMe2键，在氮上反转并重新配位为M。对5a和5b收集的可变温度NMR数据进行分析后，得出的DeltaG（双匕首）的值为ca。该过程为14 kcal / mol。5a或5b暴露于NaN（SiMe3）2会生成相应的（COD）M（kappa2-C，S-1-iPr2P（S）-2-NMe2-（C1-茚基））配合物（M
• New Racemic Planar-Chiral Metalloligands Derived from Donor-Substituted Indenes:  A Synthetic, Structural, and Catalytic Investigation
  作者：Dominik Wechsler、Matthew A. Rankin、Robert McDonald、Michael J. Ferguson、Gabriele Schatte、Mark Stradiotto

  DOI：10.1021/om700832f

  日期：2007.12.1

  The synthesis and characterization of a new family of (eta(5)-indenyl)MLn complexes (MLn = Mn(CO)(3), Cp*Ru, or Cp*Fe; Cp* = eta(5)-C5Me5) derived from 3-(PPr2)-Pr-i-indene, 1-(PPr2)-Pr-i-2-NMe2-indene (1a[H]), or 1-P(S)Pr-i(2)-2-NMe2-indene (1b[H]) are described. Lithiation of 1b[H] followed by treatment with BrMn(CO)(5), 0.25 equiv of [Cp*RuCl](4), or Cp*Li/FeCl2 provided the corresponding (eta(5)-1b)MLn complexes (MLn = Mn(CO)(3), 2a, 96%; Cp*Ru, 2b, 87%; or Cp*Fe, 2c, 55%). Similarly, treatment of 1a[Li] with 0.25 equiv of [Cp*RuCl](4) or Cp*Li/FeCl2 provided the corresponding (eta(5)-1a)MLn complexes (MLn = Cp*Ru, 3b, 74%; or Cp*Fe, 3c, 62%). Whereas combination of 3b and 0.5 equiv of [(COD)RhCl](2) afforded [(COD)Rh(kappa(2) -P,N-3b)]Cl-+(-) ([4b]Cl-+(-); 49% isolated yield), under similar conditions 3c was observed to undergo a decomposition reaction resulting in the formation of the zwitterionic complex (COD)Rh(kappa(2) -P,N-1a) (5; COD = eta(4)- 1, 5-cyclooctadiene). Each of 3a-c was observed to react cleanly with [(COD)Rh(THF)(2)]+BF4- (prepared in situ) to give the corresponding [(COD)Rh(kappa(2)-P,N-3a-c)]+BF4- complex ([4a-c]+BF4-; 87%, 96%, and 89% isolated yield, respectively). Whereas lithiation of 3-(PPr2)-Pr-i-indene followed by the addition of BrMn(CO)5 generated a complex mixture of products, similar reactions employing 0.25 equiv of [Cp*RuCl](4) Or Cp*Li/FeCl2 afforded 6b or 6c in 98% and 43% yield, respectively. Treatment of 6b with 0.5 equiv of [(COD)RhCl](2) allowed for the isolation of (COD)RhCl(kappa(1)-P-6b) 7 in 96% isolated yield. Each of [4a-c]+BF4- proved to be an active catalyst for addition of pinacolborane to styrene, with the observed regioselectivity being dependent on the nature of the eta(5)-coordinated metal fragment, as well as the solvent employed. Single-crystal X-ray diffraction data for 2a, 2b, 2c, 3b, [4c]+BF4-, and 7 are provided.