[(o-MeOC6H4)CH2]2SnPh2 | 1206710-30-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [(o-MeOC6H4)CH2]2SnPh2
• CAS: 1206710-30-6
• 化学式: C₂₈H₂₈O₂Sn
• 分子量: 515.239
• InChiKey: UWWZMXZKNJECLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  盐酸 、 [(o-MeOC6H4)CH2]2SnPh2 以 乙醚 、 苯 为溶剂， 以35%的产率得到[(o-MeOC6H4)CH2]2SnPhCl
  参考文献：
  名称：

  Intramolecular Chalcogen−Tin Interactions in [(o-MeEC₆H₄)CH₂]₂SnPh_2−nCl_n (E = S, O, CH₂; n = 0, 1, 2) and Intermolecular Chlorine−Tin Interactions in the meta- and para-Methoxy Isomers

  摘要：

  Organotin(N) compounds of the type [(o-MeEC6H4)CH2](2)SnPh2-nCln were synthesized, E = O, n = 0 (1), n = 1 (2), and n = 2 (3); E = S, n = 0 (4), n = 1 (5), and n = 2 (6); and E = CH2, n = 0 (7), n = 1 (8), and n = 2 (9). The dichloro compounds 3 and 6 have been investigated by single-crystal X-ray diffraction and exhibit bicapped tetrahedral geometry at the tin atom as a consequence of significant intramolecular Sn center dot center dot center dot O (3) and Sn center dot center dot center dot S (6) secondary bonding, in monomolecular units. Compound 3, when crystallized from a hexane/THF solvent mixture, shows two different conformers, 3' and 3 '', in the crystal structure; 3' has two equivalent Sn center dot center dot center dot O interactions, while 3 '' has two nonequivalent Sn center dot center dot center dot O interactions. Upon the recrystallization of 3 from hexane, only a single structural form is observed, 3'. The Sn center dot center dot center dot E distances in 3', 3 '', and 6 are 71.3, 73.5 and 72.9, and 76.3% of the Sigma vd radii, respectively. The meta- and para-substituted isomers of 3 (10, 11) exhibit a distortion at the tin atom due to self-association via intermolecular Sn center dot center dot center dot Cl interactions, resulting in polymeric structures. Sn-119 NMR spectroscopy suggests that the intramolecular Sn center dot center dot center dot E interactions persist in solution for the dichloride compounds 3 and 6.

  DOI：

  10.1021/ic901800c
• 作为产物：
  描述：

  二苯基二氯化锡 、 2-甲氧基氯化苄 在 Mg 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到[(o-MeOC6H4)CH2]2SnPh2
  参考文献：
  名称：

  Intramolecular Chalcogen−Tin Interactions in [(o-MeEC₆H₄)CH₂]₂SnPh_2−nCl_n (E = S, O, CH₂; n = 0, 1, 2) and Intermolecular Chlorine−Tin Interactions in the meta- and para-Methoxy Isomers

  摘要：

  Organotin(N) compounds of the type [(o-MeEC6H4)CH2](2)SnPh2-nCln were synthesized, E = O, n = 0 (1), n = 1 (2), and n = 2 (3); E = S, n = 0 (4), n = 1 (5), and n = 2 (6); and E = CH2, n = 0 (7), n = 1 (8), and n = 2 (9). The dichloro compounds 3 and 6 have been investigated by single-crystal X-ray diffraction and exhibit bicapped tetrahedral geometry at the tin atom as a consequence of significant intramolecular Sn center dot center dot center dot O (3) and Sn center dot center dot center dot S (6) secondary bonding, in monomolecular units. Compound 3, when crystallized from a hexane/THF solvent mixture, shows two different conformers, 3' and 3 '', in the crystal structure; 3' has two equivalent Sn center dot center dot center dot O interactions, while 3 '' has two nonequivalent Sn center dot center dot center dot O interactions. Upon the recrystallization of 3 from hexane, only a single structural form is observed, 3'. The Sn center dot center dot center dot E distances in 3', 3 '', and 6 are 71.3, 73.5 and 72.9, and 76.3% of the Sigma vd radii, respectively. The meta- and para-substituted isomers of 3 (10, 11) exhibit a distortion at the tin atom due to self-association via intermolecular Sn center dot center dot center dot Cl interactions, resulting in polymeric structures. Sn-119 NMR spectroscopy suggests that the intramolecular Sn center dot center dot center dot E interactions persist in solution for the dichloride compounds 3 and 6.

  DOI：

  10.1021/ic901800c