tricyclohexylarsine oxide | 4964-19-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tricyclohexylarsine oxide
• 英文别名: tricyclohexylarsane oxide；Dicyclohexylarsorylcyclohexane；dicyclohexylarsorylcyclohexane
• CAS: 4964-19-6
• 化学式: C₁₈H₃₃AsO
• 分子量: 340.381
• InChiKey: VPXYTABEMDPAML-UHFFFAOYSA-N

物化性质

• 沸点：
  456.2±28.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.37
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tricyclohexylarsine oxide 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 dichloro-tricyclohexyl-arsorane
  参考文献：
  名称：

  trans-Dichlorotri(cyclohexyl)arsenic(V)

  摘要：

  The title molecule, [ASCl(2)(C6H11)(3)], has a distorted trigonal-bipyramidal geometry with three equatorial cyclohexyl groups and axial Cl atoms. The As-C distances [1.990(2), 1.988(2) and 1.981(3) Angstrom] differ slightly, and the equatorial angles C-As-C are 117.35(10), 117.60(10) and 123.26(8)degrees. The angle subtended at arsenic by the axial Cl atoms is 178.60(2)degrees, but the chlorine separation distances [2.4957(7) and 2.3029(7) Angstrom] differ substantially. The As atom lies out of the plane of the equatorial C atoms, suggesting a contribution from the ionic structure, [As(cyclo-C6H11)(3)Cl]Cl-+(-).

  DOI：

  10.1107/s0108270197013334
• 作为产物：
  描述：

  以 氯仿 为溶剂， 生成 tricyclohexylarsine oxide 、 苦味酸
  参考文献：
  名称：

  Yakshin, V. V.; Zarubin, A. I.; Komolova, I. A., Journal of general chemistry of the USSR, 1989, vol. 59, # 8.1, p. 1578 - 1581

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.23, page 1117 - 1126
  作者：

  DOI：——

  日期：——
• Arsine Oxides
  作者：Aspet Merijanian、Ralph A. Zingaro

  DOI：10.1021/ic50036a005

  日期：1966.2
• Yakshin, V. V.; Zarubin, A. I.; Komolova, I. A., Journal of general chemistry of the USSR, 1989, vol. 59, # 8.1, p. 1578 - 1581
  作者：Yakshin, V. V.、Zarubin, A. I.、Komolova, I. A.、Buchikhin, E. P.、Ilyukova, F. M.、Ryabova, E. K.

  DOI：——

  日期：——
• <i>trans</i>-Dichlorotri(cyclohexyl)arsenic(V)
  作者：S. Pascu、L. Silaghi-Dumitrescu、A. J. Blake、W.-S. Li、I. Haiduc、D. B. Sowerby

  DOI：10.1107/s0108270197013334

  日期：1998.2.15

  The title molecule, [ASCl(2)(C6H11)(3)], has a distorted trigonal-bipyramidal geometry with three equatorial cyclohexyl groups and axial Cl atoms. The As-C distances [1.990(2), 1.988(2) and 1.981(3) Angstrom] differ slightly, and the equatorial angles C-As-C are 117.35(10), 117.60(10) and 123.26(8)degrees. The angle subtended at arsenic by the axial Cl atoms is 178.60(2)degrees, but the chlorine separation distances [2.4957(7) and 2.3029(7) Angstrom] differ substantially. The As atom lies out of the plane of the equatorial C atoms, suggesting a contribution from the ionic structure, [As(cyclo-C6H11)(3)Cl]Cl-+(-).