| 546095-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• CAS: 546095-18-5
• 化学式: C₂₁H₃₃AsN₂O₄
• 分子量: 452.426
• InChiKey: MHOZHWKZSNLDLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.68
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  69.46
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 水 作用下， 以 苯 为溶剂， 反应 0.5h， 生成 C₉H₂₂AsO⁽¹⁺⁾*Cl^(1-)
  参考文献：
  名称：

  Triorganoarsenic(V) compounds with internally functionalized oximes: synthetic and spectroscopic aspects of [R3As(Cl)L], [R3As(OH)L] and [R3AsL2]: crystal and molecular structure of [Pr3iAsOH]+Cl−

  摘要：

  Triorganoarsenic(V) oximates of the type [R3As{ON = C(Me)Ar}(2)] (1) (R = Pr', Bu'; Ar = C5H4N-2, C4H3O-2) are formed by the reactions of R-3,AsCl2, with the sodium salts of internally functionalized oximes in 1:2 molar ratio in anhydrous benzene. The redistribution products [R3As(X){ON = C(Me)Ar}] (2) (X = Cl, Br, OH) are obtained by treatment of 1 with equimolar R3AsX2. [Pr'As-3(OH){ON-C(Me)C5H4N-2}] may also be obtained by the reaction of Pr'3As(OH), with the corresponding oxime in 1:1 molar ratio. All of these complexes are characterized by IR and NMR (H-1 and C-13) spectroscopy and elemental analyses. Controlled hydrolysis of a representative monochloro-complex [Pr'As-3(Cl){ON=C(Me)C4H3O-2}] yields crystals of Pr'As-3(OH)Cl in which single crystal X-ray diffraction indicates that there is a distorted tetrahedral environment around arsenic. (C) 2003 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(02)02126-5
• 作为产物：
  描述：

  Dichlortriisopropylarsoran 、 1-(2-furyl)ethanone oxime 在 甲醇 、 sodium 作用下， 以 甲醇 、 苯 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Triorganoarsenic(V) compounds with internally functionalized oximes: synthetic and spectroscopic aspects of [R3As(Cl)L], [R3As(OH)L] and [R3AsL2]: crystal and molecular structure of [Pr3iAsOH]+Cl−

  摘要：

  Triorganoarsenic(V) oximates of the type [R3As{ON = C(Me)Ar}(2)] (1) (R = Pr', Bu'; Ar = C5H4N-2, C4H3O-2) are formed by the reactions of R-3,AsCl2, with the sodium salts of internally functionalized oximes in 1:2 molar ratio in anhydrous benzene. The redistribution products [R3As(X){ON = C(Me)Ar}] (2) (X = Cl, Br, OH) are obtained by treatment of 1 with equimolar R3AsX2. [Pr'As-3(OH){ON-C(Me)C5H4N-2}] may also be obtained by the reaction of Pr'3As(OH), with the corresponding oxime in 1:1 molar ratio. All of these complexes are characterized by IR and NMR (H-1 and C-13) spectroscopy and elemental analyses. Controlled hydrolysis of a representative monochloro-complex [Pr'As-3(Cl){ON=C(Me)C4H3O-2}] yields crystals of Pr'As-3(OH)Cl in which single crystal X-ray diffraction indicates that there is a distorted tetrahedral environment around arsenic. (C) 2003 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(02)02126-5