3-Di(propan-2-yl)phosphanylpropanenitrile | 139936-81-5

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: 3-Di(propan-2-yl)phosphanylpropanenitrile
• CAS: 139936-81-5
• 化学式: C₉H₁₈NP
• 分子量: 171.222
• InChiKey: ZSNQTAKEIXKLHX-UHFFFAOYSA-N

物化性质

• 沸点：
  250.3±23.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Di(propan-2-yl)phosphanylpropanenitrile 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.5h， 生成 N-[3-di(propan-2-yl)phosphanylpropyl]-1-pyridin-2-ylmethanimine
  参考文献：
  名称：

  Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis

  摘要：

  A family of CoCl2(PNpy) complexes were prepared, where PNpy = 2-iminopyridyl-phosphine ligands derived from amino-alkyl and aminoaryl phosphines and 2-keto- and 2-formylpyridines. Reduction of CoCl2(PNpy) complexes in the presence of PPh3 gave CoH(PNpy)(PPh3) and CoMe(PNpy)(PPh3), which were active for hydrofunctionalization of alkenes. According to DFT calculations, the CoMe(PNpy)(PPh3) complexes are best described as Co (II) derivatives of the anion [PNpy](-), with a labile PPh3 coligand. Metalation of Na[(Ph2)PC(2)N(H)py] gave the dimers [CoCl2(P(C2)N(H)py)](2). Monomeric complexes catalyze hydrosilylation of 1-octene with Ph2SiH2, with the CoCl2 ((iPr2)P(C3)N(H)py)/2NaBEt(3)H system exhibiting the highest rate and selectivity for anti-Markovnikov product. In situ NMR studies established the following: (i) silanes protonolyze catalyst precursors to give the. Co-silylcomplexes Co (SiR3) ((Ph2)P(C6H4)N(Ph)py)(pph(3)), (ii) alkenes compete with PPh3 to give Co(SiHPh2)((Ph2)P(C6H4)N(Ph)py) (eta(2)-alkene), (iii) ethylene inserts into the Co-Si bond to give Co(CH2CH3SiR3)((Ph2)P(C6H4)N(Ph)py)(pph(3)).

  DOI：

  10.1021/acs.organomet.6b00457
• 作为产物：
  描述：

  β-氯丙腈 、 二异丙基磷化氢 反应 12.0h， 以11%的产率得到3-Di(propan-2-yl)phosphanylpropanenitrile
  参考文献：
  名称：

  Wolfsberger, Werner; Burkart, Wolfgang; Werner, Helmut, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1992, vol. 47, # 2, p. 155 - 161

  摘要：

  DOI：