Zr((2-NC5H4)CH2N(CH2CH2NSO2Tol)2)(O-i-Pr2)2 | 1192571-97-3

• 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: Zr((2-NC5H4)CH2N(CH2CH2NSO2Tol)2)(O-i-Pr2)2
• 英文别名: Zr(L_py)(OiPr)2；(4-methylphenyl)sulfonyl-[2-[2-(4-methylphenyl)sulfonylazanidylethyl-(pyridin-2-ylmethyl)amino]ethyl]azanide;propan-2-olate;zirconium(4+)
• CAS: 1192571-97-3
• 化学式: C₃₀H₄₂N₄O₆S₂Zr
• 分子量: 710.043
• InChiKey: MXCQERLWGAZVFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  异丙醇锆(IV) 、 N,N-[[(2-methylpyridine)imino]di-1,2-ethandiyl]bis(4-methylbenzenesulfonamide) 以 甲苯 为溶剂， 以42%的产率得到Zr((2-NC5H4)CH2N(CH2CH2NSO2Tol)2)(O-i-Pr2)2
  参考文献：
  名称：

  Sulfonamide-Supported Group 4 Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and rac-Lactide

  摘要：

  Reaction of RCH2N(CH(2)CH(2)NHSO(2)Tol)(2) (R=2-NC5H4 (8,H2Lpy) or MeOCH2 (9, H2LOme)) with Ti(NMe2)(4) at room temperature afforded Ti(L-py)(NMe2)(2) (10) or Ti(L-OMe) (NMe2)(2) (11), respectively, which contain tetradentate bis(sulfonamide)amine ligands. The corresponding reactions With Ti((OPr)-Pr-i)(4) or Zr((OPr)-Pr-i)(4). (HOPr)-Pr-i required more forcing conditions to form the homologous bis(isopropoxide) analogues, M(L-R)((OPr)-Pr-i)(2) (M=Ti R=py (12) or OMe (14); M=Zr, R=py (13) or OMe (15)). Reaction of Ti(NMe2)(2)((OPr)-Pr-i)(2) with H2LR formed 12 or 14 under milder conditions. The X-ray structures of 10-15 have been determined revealing C-s symmetric, 6-coordinate complexes except for 13 which is 7-coordinate with one kappa(2)(N,O) bound sulfonamide donor. Compounds 10- 15 are all catalysts for the ring-opening polymerization (ROP) of epsilon-caprolactone, with the isopropoxide compounds being the fastest and best controlled, especially in the case of zirconium. In addition, Zr(L-OMe)((OPr)-Pr-i)(2) (15) was an efficient catalyst for the well-controlled ROP of rac-lactide both in toluene at 100 degrees C and in the melt at 130 degrees C, giving atactic poly(rac-lactide). The polymerization rates and control achieved for 13 and 15 are comparable to those of the well-established bis(phenolate)amine-supported Group 4 systems reported recently.

  DOI：

  10.1021/ic901524s