meso-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano-l,4-diisopropyltetrasilane | 1088162-71-3

• 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: meso-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano-l,4-diisopropyltetrasilane
• 英文别名: meso-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-3,4-dicyano-1,4-diisopropyltetrasilane；[[bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-[[bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-cyanosilyl]silyl]formonitrile
• CAS: 1088162-71-3
• 化学式: C₃₆H₉₂N₂Si₁₂
• 分子量: 890.166
• InChiKey: CANUXYKSJHPXBP-LQDDJWCHSA-N

物化性质

• 沸点：
  650.4±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.02
• 重原子数：
  50
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 甲醇 作用下， 以 甲苯 为溶剂， 反应 14.0h， 以52%的产率得到[[Bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-[[bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-cyanosilyl]silyl]formonitrile
  参考文献：
  名称：

  Reactivity of the Disilyne RSi≡SiR (R = SiⁱPr[CH(SiMe₃)₂]₂) toward Silylcyanide: Two Pathways To Form the Bis-Adduct [RSiSiR(CNSiMe₃)₂] with Some Silaketenimine Character and a 1,4-Diaza-2,3-disilabenzene Analogue

  摘要：

  The reaction of 1,1,4,4-tetrakis[bis(trimethytsilyl)methyl]-1,4-diisopropyttetrasita-2-yne 1 with trimethylsilytcyanide produced the bis-adduct [RSiSiR(CNSiMe3)(2)] (R = (SiPr)-Pr-i[CH(SiMe3)(2)](2)) 2 and a 1,4-diaza-2,3-disitabenzene analogue 3, which were characterized by spectroscopic data as well as X-ray crystallography (for 2). These two products were produced by different isomers of trimethylsilycyanide reacting with the disilyne; bis-adduct 2 was formed from the isocyanide form, and compound 3 was produced from the cyanide form followed by cyclization. The bis-adduct 2 is shown on the basis of X-ray crystallography structural data and theoretical studies to exhibit some bis(silaketenimine) character with zwitterionic contributions. The dl-form of dicyano compound 4 was preferentially produced by the reaction of 2 with methanol.

  DOI：

  10.1021/ja807974a

文献信息

• A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi≡SiR (R = Si^<i>i</i>Pr[CH(SiMe₃)₂]) with Isocyanides
  作者：Katsuhiko Takeuchi、Masaaki Ichinohe、Akira Sekiguchi

  DOI：10.1021/ja212065a

  日期：2012.2.15

  corresponding disilyne-isocyanide adducts [RSiSiR(CNR')(2)] (R = Si(i)Pr[CH(SiMe(3))(2)](2), R' = (t)Bu (2a) or CMe(2)CH(2)(t)Bu (2b)), which are stable below -30 °C and were characterized by spectroscopic data and, in the case of 2a, X-ray crystallography. Upon warming to room temperature, 2 underwent thermal decomposition to produce 1,2-dicyanodisilene R(NC)Si═Si(CN)R (3) and 1,2-dicyanodisilane R(NC)HSiSiH(CN)R

  1,1,4,4-四[​​双(三甲基甲硅烷基)甲基]-1,4-二异丙基四硅-2-炔(1)与叔丁基异氰化物或叔辛基异氰化物反应生成相应的二甲硅烷-异氰化物加合物[RSiSiR( CNR')(2)] (R = Si(i)Pr[CH(SiMe(3))(2)](2), R' = (t)Bu (2a) 或 CMe(2)CH(2) (t)Bu (2b))，在 -30 °C 以下稳定，并通过光谱数据表征，在 2a 的情况下，X 射线晶体学表征。升温至室温后，2 发生热分解，生成 1,2-二氰二硅烷 R(NC)Si=Si(CN)R (3) 和 1,2-二氰二硅烷 R(NC)HSiSiH(CN)R (4)烷烃和烯烃的 CN 键断裂和消除。1,2-二氰二硅烯衍生物 3 的特征是 X 射线晶体学。