tris(2-methyl-2-phenylpropyl)stannane iodide | 1178-80-9

• 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: tris(2-methyl-2-phenylpropyl)stannane iodide
• 英文别名: Tris(2-methyl-2-phenylpropyl)stannanylium;iodide
• CAS: 1178-80-9
• 化学式: C₃₀H₃₉ISn
• 分子量: 645.254
• InChiKey: MANGHXUPGXLHIC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  四(2-甲基-2-苯基丙基)锡烷 以 氯仿 、 丙酮 为溶剂， 生成 tris(2-methyl-2-phenylpropyl)stannane iodide
  参考文献：
  名称：

  Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX, revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc)

  摘要：

  The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01030-6

文献信息

• Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX, revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc)
  作者：João A.S Bomfim、Carlos A.L Filgueiras、R Alan Howie、John N Low、Janet M.S Skakle、James L Wardell、Solange M.S.V Wardell

  DOI：10.1016/s0277-5387(02)01030-6

  日期：2002.7

  The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.