硅烷,[[2-[(2,4,6-三环己基并苯基)四硒杂锡杂齐墩果基]-1,3,5-苯三基]三次甲基]六- | 198023-01-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 硅烷,[[2-[(2,4,6-三环己基并苯基)四硒杂锡杂齐墩果基]-1,3,5-苯三基]三次甲基]六-
• 英文名称: 5-(2,4,6-tricyclohexylphenyl)-5-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-1,2,3,4,5-tetraselenastannolane
• CAS: 198023-01-7
• 化学式: C₅₁H₉₄Se₄Si₆Sn
• 分子量: 1310.37
• InChiKey: NJUDLHROMJBKQS-UHFFFAOYSA-L

物化性质

• 熔点：
  224-226.5 °C (decomp)(Solv: acetonitrile (75-05-8); dichloromethane (75-09-2))

计算性质

• 辛醇/水分配系数(LogP)：
  15.73
• 重原子数：
  62
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  硅烷,[[2-[(2,4,6-三环己基并苯基)四硒杂锡杂齐墩果基]-1,3,5-苯三基]三次甲基]六- 在 PPh₃ 作用下， 以 氘代甲苯 为溶剂， 生成 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(2,4,6-tricyclohexylphenyl)Sn=Se
  参考文献：
  名称：

  Tin−Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone:  Synthesis, Structure, and Reactivities

  摘要：

  The first isolation of diarylstannanethione (tin-sulfur double-bond compound) and diarylstannaneselone (tin-selenium double-bond compound), Tbt(Ditp)Sn=X (Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl; Ditp = 2,2"-diisopropyl-m-terphenyl-2'-yl; X = S and Se) was accomplished by dechalcogenation of the corresponding highly hindered tetrachalcogenastannolanes, Tbt(Ditp)SnX4. The Sn-119 NMR of stannanethione, Tbt(Ditp)Sn=S, and stannaneselone, Tbt(Ditp)Sn=Se, showed only one low-field broad signal at 531 and 440 ppm, respectively, characteristic of a tricoordinated tin, and hence, the stannanethione and stannaneselone display an intrinsic nature of tin-chalcogen double-bond compounds. The X-ray crystallographic analysis of the isolated stannaneselone, Tbt(Ditp)Sn=Se 5a, revealed a completely trigonal geometry around the central tin with a remarkably short Sn-Se bond length, indicative of structural similarity to a ketone.

  DOI：

  10.1021/ja048453h
• 作为产物：
  描述：

  dichloro(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)(2,4,6-tricyclohexylphenyl)stannane 在 LiAlH₄ 、 lithium naphthalenide 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 硅烷,[[2-[(2,4,6-三环己基并苯基)四硒杂锡杂齐墩果基]-1,3,5-苯三基]三次甲基]六-
  参考文献：
  名称：

  Tin−Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone:  Synthesis, Structure, and Reactivities

  摘要：

  The first isolation of diarylstannanethione (tin-sulfur double-bond compound) and diarylstannaneselone (tin-selenium double-bond compound), Tbt(Ditp)Sn=X (Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl; Ditp = 2,2"-diisopropyl-m-terphenyl-2'-yl; X = S and Se) was accomplished by dechalcogenation of the corresponding highly hindered tetrachalcogenastannolanes, Tbt(Ditp)SnX4. The Sn-119 NMR of stannanethione, Tbt(Ditp)Sn=S, and stannaneselone, Tbt(Ditp)Sn=Se, showed only one low-field broad signal at 531 and 440 ppm, respectively, characteristic of a tricoordinated tin, and hence, the stannanethione and stannaneselone display an intrinsic nature of tin-chalcogen double-bond compounds. The X-ray crystallographic analysis of the isolated stannaneselone, Tbt(Ditp)Sn=Se 5a, revealed a completely trigonal geometry around the central tin with a remarkably short Sn-Se bond length, indicative of structural similarity to a ketone.

  DOI：

  10.1021/ja048453h

文献信息

• The First Kinetically Stabilized Stannaneselone and Diselenastannirane:  Synthesis by Deselenation of a Tetraselenastannolane and Structures
  作者：Masaichi Saito、Norihiro Tokitoh、Renji Okazaki

  DOI：10.1021/ja972221j

  日期：1997.11.1
• Tin−Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone:  Synthesis, Structure, and Reactivities
  作者：Masaichi Saito、Norihiro Tokitoh、Renji Okazaki

  DOI：10.1021/ja048453h

  日期：2004.12.1

  The first isolation of diarylstannanethione (tin-sulfur double-bond compound) and diarylstannaneselone (tin-selenium double-bond compound), Tbt(Ditp)Sn=X (Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl; Ditp = 2,2"-diisopropyl-m-terphenyl-2'-yl; X = S and Se) was accomplished by dechalcogenation of the corresponding highly hindered tetrachalcogenastannolanes, Tbt(Ditp)SnX4. The Sn-119 NMR of stannanethione, Tbt(Ditp)Sn=S, and stannaneselone, Tbt(Ditp)Sn=Se, showed only one low-field broad signal at 531 and 440 ppm, respectively, characteristic of a tricoordinated tin, and hence, the stannanethione and stannaneselone display an intrinsic nature of tin-chalcogen double-bond compounds. The X-ray crystallographic analysis of the isolated stannaneselone, Tbt(Ditp)Sn=Se 5a, revealed a completely trigonal geometry around the central tin with a remarkably short Sn-Se bond length, indicative of structural similarity to a ketone.