| 215180-13-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 215180-13-5
• 化学式: C₄H₁₀O*C₁₈H₂₄LiN
• 分子量: 335.459
• InChiKey: UPIGBVIQVBWITA-YIYNEHPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  23.33
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  [VCl3(thf)3] 、 以 甲苯 为溶剂， 以48%的产率得到[3,5-Me2C6H3N(1-adamantyl)]3V
  参考文献：
  名称：

  Ruppa, Kamalesh B.P.; Desmangles, Nathalie; Gambarotta, Sandro, Inorganic Chemistry, 1997, vol. 36, # 6, p. 1194 - 1197

  摘要：

  DOI：

文献信息

• Zirconium alkyl and borohydride complexes stabilized by a sterically demanding anionic organic amide. The crystal structures of ZrMeL₃ (2) and Zr(BH₄)L₃ (3) (L = (3,5-Me₂Ph)N(Ad); Ad = adamantyl)
  作者：Aparna Kasani、Sandro Gambarotta、Corinne Bensimon

  DOI：10.1139/v97-179

  日期：1997.11.1

  The lithium amide [3,5-Me₂PhN(Ad)]Li•Et₂O (L) reacts with ZrCl₄(THF)₂ to give ZrClL₃. Reactions of ZrClL₃ with MeLi and NaBH₄ produce the corresponding ZrMeL₃ (2) and Zr(BH₄)L₃ (3), respectively. The molecular structures of 2 and 3 were determined by X-ray crystallography. Crystal data are as follows. 2: C₅₅H₇₅N₃Zr, FW 869.45, orthorhombic, Pcab; a = 19.2436(3) Å,b = 45.9342(4) Å, c = 21.2935(3) Å, V = 18822.2(4) ųZ = 8; 3: C₅₄H₇₆BN₃Zr, FW 869.25, orthorhombic; Pbc21, a = 11.5399(3) Å,b = 19.4091(4) Å, c = 20.4471(5) Å,V = 4579.72(19) ųZ = 4. Keywords: zirconium, amide, alkyl, borohydride, structure.

  锂胺[3,5-Me₂PhN(Ad)]Li•Et₂O（L）与ZrCl₄(THF)₂反应生成ZrClL₃。ZrClL₃与MeLi和NaBH₄反应分别生成相应的ZrMeL₃（2）和Zr（BH₄）L₃（3）。2和3的分子结构由X射线晶体学确定。晶体数据如下。2：C₅₅H₇₅N₃Zr，FW 869.45，正交晶系，Pcab；a = 19.2436(3) Å，b = 45.9342(4) Å，c = 21.2935(3) Å，V = 18822.2(4) ų，Z = 8；3：C₅₄H₇₆BN₃Zr，FW 869.25，正交晶系；Pbc21，a = 11.5399(3) Å，b = 19.4091(4) Å，c = 20.4471(5) Å，V = 4579.72(19) ų，Z = 4。关键词：锆，胺，烷基，硼氢化物，结构。
• Ruppa, Kamalesh B. P.; Feghali, Khalil; Kovacs, Istvan, Journal of the Chemical Society, Dalton Transactions, 1998, # 10, p. 1595 - 1605
  作者：Ruppa, Kamalesh B. P.、Feghali, Khalil、Kovacs, Istvan、Aparna, Kasani、Gambarotta, Sandro、Yap, Glenn P. A.、Bensimon, Corinne

  DOI：——

  日期：——
• Tetravalent niobium alkyls and enolate stabilized by anionic organic amides
  作者：Kamalesh B.P. Ruppa、Sandro Gambarotta、Glenn P.A. Yap

  DOI：10.1016/s0020-1693(98)00059-0

  日期：1998.10

  The lithium amide [3,5-Me2PhN(Ad)]Li . Et2O reacts with NbCl4(THF)(2) to give [3,5-Me2PhN(Ad)](3)NbCl (1). Reactions of 1 with PhLi and MeLi produced the corresponding alkyl derivatives [3,5-Me2PhN(Ad)](3)NbR (R= Ph (2a), Me (2b)). Attempts to prepare a neophyl niobium derivative led instead to the formation of the corresponding enolate [ 3,5-Me2PhN(Ad)](3)Nb(OCH=CH2) (3), arising from the cleavage of THF. (C) 1998 Elsevier Science S.A. All rights reserved.