2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-one | 633294-42-5

• 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: 2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-one
• 英文别名: 2,6-bis[2,6-di(propan-2-yl)anilino]hepta-2,5-dien-4-one
• CAS: 633294-42-5
• 化学式: C₃₁H₄₄N₂O
• 分子量: 460.703
• InChiKey: HUQLBOMZMPPAAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-one 以 正己烷 、 甲苯 为溶剂， 生成 [(2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-oneato)Zn2(μ-OAc)2]
  参考文献：
  名称：

  Structure and reactivity of mono- and dinuclear diiminate zinc alkyl complexes

  摘要：

  The synthesis, structure and reactivity of several diiminate ligands are presented. The syntheses of five representative beta-diiminate (BDI) zinc alkyl complexes and one beta-oxo-delta-diiminate (BODDI) zinc alkyl are described. BDI ligands with varying backbone and N-aryl substituents display different solid state structures. [(BDI)ZnR] are synthesized by the reaction of (BDI)H with ZnR, in quantitative yield. Previously reported (BDI-1)ZnEt is a three-coordinate monomer in the solid state whereas [(BDI-3)ZnEt](infinity) [(BDI-3) = 2-((2,6-diisopropylphenyl)amido)-3-cyano-4-((2,6-diisopropylphenyl)imino-2-pentene] and [(BDI-4)ZnEt](infinity) [(BDI-4) = 2-((2,6-diethylphenyl)amido)-3-cyano-4-((2,6-diethylphenyl)imino-2-pentene] form one dimensional coordination polymers. The bimetallic complex [(BODDI-1)(ZnEt)(2)] [(BODDI-1) = 2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-one] is prepared through the reaction of (BODDI-1)H-2 with two equivalents ZnEt2. Both [(BDI)ZnEt] and [(BODDI)ZnEt] complexes react with acetic acid to give the acetate complexes in moderate to high yields, offering a superior synthetic route to these complexes. [(BDI)ZnR] [BDI=(BDI-3) or 1,1,1-trifluoro-2-((2,6-diisopropylphenyl)amido)-4-((2,6-diethylphenyl)imino-2-pentene), (BDI-5)] complexes react with MeOH to produce [{(BDI)Zn(mu-OMe)}(2)Zn(mu-OMe)(2)] in moderate yields. The molecular structures of [(BDI-3)ZnEt], [(BDI-4)ZnEt], [(BODDI-1)(ZnEt)(2)], [(BODDI-1)Zn-2(mu-OAc)(2)], [{(BDI-3)Zn(mu-OMe)}(2)Zn(mu-OMe)(2)] and [{(BDI-5)Zn(mu-OMe)}(2)Zn(mu-OMe)2] have been determined by X-ray diffraction. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00544-8

文献信息

• Lutetium-Methanediide-Alkyl Complexes: Synthesis and Chemistry
  作者：Shihui Li、Meiyan Wang、Bo Liu、Lei Li、Jianhua Cheng、Chunji Wu、Dongtao Liu、Jingyao Liu、Dongmei Cui

  DOI：10.1002/chem.201404809

  日期：2014.11.17

  BuNC(=CH2)SiMe2CHCNtBu‐κ1N]}(tBuNC)2 (6) through a cascade reaction of NC bond insertion, sequential cyclometalative γ‐(sp3)‐H activation, CC bond formation, and rearrangement of the newly formed carbene intermediate. The possible mechanistic pathways between 1, PhNCO, and tBuNC were elucidated by DFT calculations.

  第一四坐标methanediide /烷基镥络合物（BODDI）路2（CH 2森达3）2（μ 2 -CHSiMe 3）（THF）2（BODDI = ArNC（Me）的CHCOCHC（Me）的NAR中，Ar = 2， 6-我镨2 ç 6 ħ 3）（1）通过从路-CH通过α-H抽象热解方法合成2森达3组。配合物1与等摩尔的2,6 ‐ i PrC 6 H 3 NH 2和Ph 2反应CO得到相应的镥桥接亚氨基和氧代基复合物（BODDI）路2（CH 2森达3）2（μ 2 - Ñ -2,6-我镨2 ç 6 ħ 3）（THF）2（2）和（BODDI）路2（CH 2森达3）2（μ 2 -O）（THF）2（3）。治疗3的Ph 2 CO（4当量）引起的路-μ的一种罕见的插入2-O键键合到CO基团中，得到二苯基甲基二醇酸酯络合物4。的反应1与PHN =CO（2当量）导致森达的迁移3到酰氨基的氮原子，得到复合体（BODDI）路2（CH