1,3-diiodo-2,4-bis(2,6-di-isopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane | 1309767-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-diiodo-2,4-bis(2,6-di-isopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane
• CAS: 1309767-10-9
• 化学式: C₂₄H₃₄I₂N₂P₂
• 分子量: 666.304
• InChiKey: DSTULARTCHAQAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.83
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,3-diiodo-2,4-bis(2,6-di-isopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane 、 pentafluorophenylsilver 以 二氯甲烷 为溶剂， 反应 3.33h， 以76%的产率得到1,3-bis(pentafluorophenyl)-2,4-bis(2,6-diisopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane
  参考文献：
  名称：

  Synthesis of Blue Imino(pentafluorophenyl)phosphane

  摘要：

  The reaction of AgC6F5 with monomeric iminophosphanes of Mes*-N=P-X (X = Cl, I) in CH2Cl2 at ambient temperature gives imino(pentafluorophenyl)phosphane, Mes*N=P(C6F5) (1), in almost quantitative yield (96%), which could be isolated as a highly viscous blue oil. The same reaction with LiC6F5 results in the formation of imino(amino)phosphane (C6F5)(2)P-N(Mes*)-P=NMes* (2) (yield 93%). In the second series of experiments the analogous reaction of MC6F5 (M = Ag, Li) with dimeric [Cl-P(mu-N -Dipp)](2) was studied, leading to the formation of [R-P(mu-N-Dipp)](2) (R = C6F5) (3) for M = Ag, while only decomposition products such as P(C6F5)(3) were observed in the reaction with the Li salt. Highly labile Mes*-N=P-C6F5 (1) decomposes at ambient temperatures, forming among other products the diphosphane (C6F5)(2)P-F(C6F5)(2) (4). Reaction of 1 with Fe-2(CO)(9) yields the iron carbonyl complexes Mes*-N=P(C6F5)center dot Fe(CO)(4) (5) and [Mes*-N=P(C6F5)](2)center dot Fe(CO)(3) (6). The structure, bonding, and potential energy surface are discussed on the basis of B3LYP/6-31G(d, p) computations. According to time-dependent B3LYP calculations, the blue color of 1 arises from an n -> pi* electronic transition.

  DOI：

  10.1021/ic200623x
• 作为产物：
  描述：

  [ClP(μ-N-di(2,6-isopropylphenyl))]₂ 在 碘代三甲硅烷 、 sodium iodide 作用下， 以 二氯甲烷 为溶剂， 反应 72.5h， 以87%的产率得到1,3-diiodo-2,4-bis(2,6-di-isopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane
  参考文献：
  名称：

  Synthesis of Blue Imino(pentafluorophenyl)phosphane

  摘要：

  The reaction of AgC6F5 with monomeric iminophosphanes of Mes*-N=P-X (X = Cl, I) in CH2Cl2 at ambient temperature gives imino(pentafluorophenyl)phosphane, Mes*N=P(C6F5) (1), in almost quantitative yield (96%), which could be isolated as a highly viscous blue oil. The same reaction with LiC6F5 results in the formation of imino(amino)phosphane (C6F5)(2)P-N(Mes*)-P=NMes* (2) (yield 93%). In the second series of experiments the analogous reaction of MC6F5 (M = Ag, Li) with dimeric [Cl-P(mu-N -Dipp)](2) was studied, leading to the formation of [R-P(mu-N-Dipp)](2) (R = C6F5) (3) for M = Ag, while only decomposition products such as P(C6F5)(3) were observed in the reaction with the Li salt. Highly labile Mes*-N=P-C6F5 (1) decomposes at ambient temperatures, forming among other products the diphosphane (C6F5)(2)P-F(C6F5)(2) (4). Reaction of 1 with Fe-2(CO)(9) yields the iron carbonyl complexes Mes*-N=P(C6F5)center dot Fe(CO)(4) (5) and [Mes*-N=P(C6F5)](2)center dot Fe(CO)(3) (6). The structure, bonding, and potential energy surface are discussed on the basis of B3LYP/6-31G(d, p) computations. According to time-dependent B3LYP calculations, the blue color of 1 arises from an n -> pi* electronic transition.

  DOI：

  10.1021/ic200623x