κ³-N,O,N-{(C₅H₉)NC6H₄O}₂AlNMe₂ | 1334821-59-8

• 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: κ³-N,O,N-{(C₅H₉)NC6H₄O}₂AlNMe₂
• 英文别名: [(η3(N,O,N)-(C5H9)N-C6H4)2OAlNMe2]；aluminum;cyclopentyl-[2-(2-cyclopentylazanidylphenoxy)phenyl]azanide;dimethylazanide
• CAS: 1334821-59-8
• 化学式: C₂₄H₃₂AlN₃O
• 分子量: 405.519
• InChiKey: XDZIUHNFGGBXGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  κ³-N,O,N-{(C₅H₉)NC6H₄O}₂AlNMe₂ 、 苯甲醇 以 甲苯 为溶剂， 以44%的产率得到[κ³-N,O,N-{{(C₅H₉)NC₆H₄}₂O}₂AlOCH₂Ph]₂
  参考文献：
  名称：

  高效酯化环状酯和碳酸盐的各种N，O，N螯合的铝和镓络合物的合成和结构表征：铝和镓衍生物如何比较？

  摘要：

  新颖的Al和Ga配位化合物4，5，7，和8的类型的（NON）ALX（NON 2- = {RNC 6 ħ 4 } 2 ö 2- ; 4，R = CY，X =甲基; 5， R = C 5 H 9，X = OCH 2 Ph；7，R = C 6 F 5，X = Me）和（NON）GaX（NON 2– = {R 2 NHC 6 H 4 } 2 O 2– ; 8，R = C6 ˚F 5，X = Me）的已通过被合成，在的情况下4，7，和8，相应的protio配体之间的甲烷消除反应（NON）H 2和MME 3个前体（M =铝，镓）。所述Al烷氧化物衍生物5经醇解反应制得之间κ 3 - ñ，ö，Ñ {（C - 5 ħ 9）NC 6 H ^ 4 } 2 ö} 2 AlNMe 2和物理信道2哦。四配位的Al-THF加合物κ 2 - Ñ，N' - {（C 5 H ^ 9）NC 6 H ^ 4 } 2 ö} 2的

  DOI：

  10.1021/om3011068
• 作为产物：
  描述：

  (C5H9NH-o-C6H4)2O 、 甲胺,N-甲基-,盐铝 以 甲苯 为溶剂， 以60%的产率得到κ³-N,O,N-{(C₅H₉)NC6H₄O}₂AlNMe₂
  参考文献：
  名称：

  Novel N,O,N-Supported Tetracoordinate Aluminum Complexes for the Highly Controlled and Immortal ROP of Trimethylene Carbonate (TMC) under Mild Conditions: Access to Narrowly Disperse poly-TMC and Derived Copolymers

  摘要：

  The novel N,O,N-supported tetracoordinate amidoaluminum complexes {eta(3)(N,O,N}-(C5H9)N-C6H4}(2)O-AlNMe2 (2a, R = C5H9; 2b, R = C6H(11)) have been synthesized and structurally characterized. In the solid state, as determined from X-ray crystallographic studies, complex 2a consists of a four-coordinate Al species in which the Al center adopts a distorted-trigonal-monopyramidal (tmp) geometry with the nitrogens of the three amido groups (defining the pyramidal base) being nearly coplanar with Al. Such Al species, when combined with an alcohol source such as benzyl alcohol, effectively polymerize trimethylene carbonate (TMC) at room temperature in a highly controlled manner to yield narrowly disperse poly(trimethylene carbonate), as deduced from polymer characterizations with various kinetic studies. The high degree of molecular chain length control of the present system was further exploited to access narrowly dispersed PEG-functionalized amphiphilic copolymers. The attractive features of the system lie in the combination of an excellent activity, a high level of chain length control, and mild reaction conditions.

  DOI：

  10.1021/om200703d