(Z)-N-((2E,3Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)benzohydrazonic acid | 715651-01-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (Z)-N-((2E,3Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)benzohydrazonic acid
• CAS: 715651-01-7
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: HWORBCQUNOUVNT-AXPVVUDUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65.18
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonate)oxovanadium 、 (Z)-N-((2E,3Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)benzohydrazonic acid 在 2,2'-bipyridine 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structure and metal redox of new VO³⁺and VO²⁺complexes incorporating mixed tridentate–bidentate binding

  摘要：

  The reaction of bis(acetylacetonato)oxovanadium(IV) with a mixture of a tridentate ONO-co-ordinating hydrazone H-2L1-H-2L4 (general abbreviation H-2L; condensates of benzoylhydrazine with benzoylacetone, salicylaldehyde, 2-hydroxy-1-naphthaldehyde and 2-hydroxybutyrophenone respectively) and a bidentate compound 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen) or quinolin-8-ol (Hquin) has afforded the complexes [V(IV)O(L)(bipy)], [V(IV)O(L)(phen)] and [V(V)O(L)(quin)] in high yields. The crystal structure of [VO(L1)(quin)] has been determined, revealing the distorted-octahedral VO(ONO)(ON) co-ordination sphere with the L1 ligand spanning meridionally. The V=O distance is 1.592(3) angstrom and the atom lying trans to V=O is the quin nitrogen. There is a large decrease (almost-equal-to 700 mV) in the VO3+-VO2+ E1/2 values between [VO(L)(bipy)] for [VO(L)(phen)]} and [VO(L)(quin)]. The complex [V(IV)O(L)(quin)]- was electrogenerated in solution but spontaneously reoxidized to [V(V)O(L)(quin)] in air. For a given bidentate ligand, the VO3+-VO2+ E1/2 values follow the order L1 < L4 < L2 < L3. The ESR spectra of the VO2+ complexes correspond to an axially compressed d(xy)1 configuration. The V-51 hyperfine constants are slightly larger for [VO(L)(quin)]- than for [VO(L)-(bipy)] and [VO(L)(phen)]. The d(xy) --> d(xz),d(yz) transition of the tetravalent complexes occurs in the region 700-950 nm.

  DOI：

  10.1039/dt9940000557