2-hydroxy-1,3-bis-[3-(2-hydroxyphenyl)-3-oxopropionyl]benzene | 924637-95-6

• 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: 2-hydroxy-1,3-bis-[3-(2-hydroxyphenyl)-3-oxopropionyl]benzene
• 英文别名: 2-hydroxy-1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-benzene；1-[2-Hydroxy-3-[3-(2-hydroxyphenyl)-3-oxopropanoyl]phenyl]-3-(2-hydroxyphenyl)propane-1,3-dione；1-[2-hydroxy-3-[3-(2-hydroxyphenyl)-3-oxopropanoyl]phenyl]-3-(2-hydroxyphenyl)propane-1,3-dione
• CAS: 924637-95-6
• 化学式: C₂₄H₁₈O₇
• 分子量: 418.403
• InChiKey: UGMGLHCPRVYTRK-UHFFFAOYSA-N

物化性质

• 沸点：
  664.2±55.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  水 、 吡啶 、 2-hydroxy-1,3-bis-[3-(2-hydroxyphenyl)-3-oxopropionyl]benzene 、 manganese(II) acetate dihydrate 以 吡啶 为溶剂， 生成 [Mn4(C6H3O(COCH2COC6H5O)2)2(CH3COO)2(py)3.5(H2O)1.5]
  参考文献：
  名称：

  A Zig‐Zag [Mn ^II ₄ ] Cluster from a Novel Bis(β‐diketonate) Ligand

  摘要：

  AbstractA new ligand, H5L3, has been synthesized featuring seven linearly arranged oxygen donors in form of two 1,3‐diketone and three phenol groups. The X‐ray structure of H5L3 unveils a rare case where one of the diketones is in the enolic form and the other one in the bis(carbonyl) form. This structure is shown by 1H NMR to persist in solution. Reaction of H5L3 with Mn(AcO)2 in pyridine leads to the novel tetranuclear cluster [Mn4(H2L3)2(OAc)2(py)5] (1), which displays an unusual core in form of a zig‐zag chain. Bulk magnetic measurements revealed the existence of weak antiferromagnetic coupling within the molecule. Numerical fits to a model described by the Hamiltonian H = –2J1(S1S2 + S3S4) – 2J2(S2S3) yield coupling constants of J1 = –2.23 cm–1, J2 = –0.85 cm–1 and g = 2.08. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200600105
• 作为产物：
  描述：

  dimethyl 2-methoxyisophthalate 在 三溴化硼 、 sodium hydride 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 2-hydroxy-1,3-bis-[3-(2-hydroxyphenyl)-3-oxopropionyl]benzene
  参考文献：
  名称：

  A Zig‐Zag [Mn ^II ₄ ] Cluster from a Novel Bis(β‐diketonate) Ligand

  摘要：

  AbstractA new ligand, H5L3, has been synthesized featuring seven linearly arranged oxygen donors in form of two 1,3‐diketone and three phenol groups. The X‐ray structure of H5L3 unveils a rare case where one of the diketones is in the enolic form and the other one in the bis(carbonyl) form. This structure is shown by 1H NMR to persist in solution. Reaction of H5L3 with Mn(AcO)2 in pyridine leads to the novel tetranuclear cluster [Mn4(H2L3)2(OAc)2(py)5] (1), which displays an unusual core in form of a zig‐zag chain. Bulk magnetic measurements revealed the existence of weak antiferromagnetic coupling within the molecule. Numerical fits to a model described by the Hamiltonian H = –2J1(S1S2 + S3S4) – 2J2(S2S3) yield coupling constants of J1 = –2.23 cm–1, J2 = –0.85 cm–1 and g = 2.08. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200600105

文献信息

• A new type of paddle-wheel coordination complex
  作者：Leoní A. Barrios、Ivana Borilovic、Jorge Salinas Uber、David Aguilà、Olivier Roubeau、Guillem Aromí

  DOI：10.1039/c3dt51232k

  日期：——

  reaction of the ligand 2-hydroxy-1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-benzene, H5L4, with M(AcO)2 salts (M = Mn, Co) gathers the conditions for the assembly of coordination complexes (NBu4)3[M2Na2(H2L4)3] (M = Mn(II) 1 and Co(II) 2), which exhibit a new paddle-wheel structure. The features of this new category of compounds are discussed as well as their magnetic properties and solution behaviour

  在Na（+）离子存在下，配体2-羟基-1,3-双-（3-氧代-3-（2-羟基苯基）-丙酰基）-苯H5L4与M（AcO）的反应2种盐（M = Mn，Co）收集了配位配合物（NBu4）3 [M2Na2（H2L4）3]（M = Mn（II）1和Co（II）2）的组装条件，这些盐表现出新的桨状轮结构。讨论了这类新化合物的特征及其磁性能和溶液行为。