(4-acetoxymethyl-2,3-dimethoxyphenyl)(2,3-dimethoxyphenyl)methyl acetate | 198482-04-1

• 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: (4-acetoxymethyl-2,3-dimethoxyphenyl)(2,3-dimethoxyphenyl)methyl acetate
• CAS: 198482-04-1
• 化学式: C₂₂H₂₆O₈
• 分子量: 418.444
• InChiKey: YCCWVWIHNSAHGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (4-acetoxymethyl-2,3-dimethoxyphenyl)(2,3-dimethoxyphenyl)methyl acetate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 46.0h， 以86%的产率得到(4-methyl-2,3-dimethoxyphenyl)(2,3-dimethoxyphenyl)methane
  参考文献：
  名称：

  Self-Assembly of Dinuclear CH2-bridged Titanium(IV)/Catecholate Complexes: Influence of the Counterions and of Methyl Substituents in the Ligand

  摘要：

  AbstractThe spontaneous self‐assembly of methylene‐bridged dinuclear TiIV complexes M4[L3Ti2] (L = 1–3) from CH2‐bridged di(catechol) ligands (1‐H4–3‐H4) was found to proceed in the presence of lithium or sodium carbonate acting as a base (M = Li, Na). In contrast, only an unspecific mixture of coordination compounds was obtained in the presence of potassium carbonate. This difference in behavior is due to the ability of Li+ or Na+ to stabilize the triple‐stranded dinuclear titanium(IV) species [L3Ti2]4‐. In the solid state, Li4[(1)3Ti2] exhibits a highly symmetric structure with three lithium cations bound to the meso‐helicate tetraanion. 6Li NMR together with 1H NMR studies at variable temperature revealed that, in solution, an unsymmetrical „bowl‐shaped”︁ species is formed with only two Li+ bound to the anion. A methyl substituent on the methylene spacer of the di(catechol) ligand (ligand 2) led to supramolecular systems with new stereocenters and thus a higher content of information. However, only one of the four possible diastereoisomeric metal complexes of [(2)3Ti2]4‐ was observed. A third type of ligand, with a methyl group attached to one terminus of the linear ligand, was also investigated. The synthesis of such an unsymmetrical ligand, 3‐H4, was readily achieved starting from 2,3‐dimethoxyben‐zyl alcohol (4) and 2,3‐dimethoxybenz‐aldehyde (6). Upon complexation, the ligand 3‐H4 led to a statistical mixture of the two possible isomers of the dinuclear titanium(IV) complex [(3)3Ti2]4‐.

  DOI：

  10.1002/chem.19970030913
• 作为产物：
  描述：

  2,3-二甲氧基苄醇 在 正丁基锂 、 四甲基乙二胺 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 18.0h， 生成 (4-acetoxymethyl-2,3-dimethoxyphenyl)(2,3-dimethoxyphenyl)methyl acetate
  参考文献：
  名称：

  Self-Assembly of Dinuclear CH2-bridged Titanium(IV)/Catecholate Complexes: Influence of the Counterions and of Methyl Substituents in the Ligand

  摘要：

  AbstractThe spontaneous self‐assembly of methylene‐bridged dinuclear TiIV complexes M4[L3Ti2] (L = 1–3) from CH2‐bridged di(catechol) ligands (1‐H4–3‐H4) was found to proceed in the presence of lithium or sodium carbonate acting as a base (M = Li, Na). In contrast, only an unspecific mixture of coordination compounds was obtained in the presence of potassium carbonate. This difference in behavior is due to the ability of Li+ or Na+ to stabilize the triple‐stranded dinuclear titanium(IV) species [L3Ti2]4‐. In the solid state, Li4[(1)3Ti2] exhibits a highly symmetric structure with three lithium cations bound to the meso‐helicate tetraanion. 6Li NMR together with 1H NMR studies at variable temperature revealed that, in solution, an unsymmetrical „bowl‐shaped”︁ species is formed with only two Li+ bound to the anion. A methyl substituent on the methylene spacer of the di(catechol) ligand (ligand 2) led to supramolecular systems with new stereocenters and thus a higher content of information. However, only one of the four possible diastereoisomeric metal complexes of [(2)3Ti2]4‐ was observed. A third type of ligand, with a methyl group attached to one terminus of the linear ligand, was also investigated. The synthesis of such an unsymmetrical ligand, 3‐H4, was readily achieved starting from 2,3‐dimethoxyben‐zyl alcohol (4) and 2,3‐dimethoxybenz‐aldehyde (6). Upon complexation, the ligand 3‐H4 led to a statistical mixture of the two possible isomers of the dinuclear titanium(IV) complex [(3)3Ti2]4‐.

  DOI：

  10.1002/chem.19970030913

文献信息

• Self-Assembly of Dinuclear CH2-bridged Titanium(IV)/Catecholate Complexes: Influence of the Counterions and of Methyl Substituents in the Ligand
  作者：Markus Albrecht

  DOI：10.1002/chem.19970030913

  日期：1997.9

  AbstractThe spontaneous self‐assembly of methylene‐bridged dinuclear TiIV complexes M4[L3Ti2] (L = 1–3) from CH2‐bridged di(catechol) ligands (1‐H4–3‐H4) was found to proceed in the presence of lithium or sodium carbonate acting as a base (M = Li, Na). In contrast, only an unspecific mixture of coordination compounds was obtained in the presence of potassium carbonate. This difference in behavior is due to the ability of Li+ or Na+ to stabilize the triple‐stranded dinuclear titanium(IV) species [L3Ti2]4‐. In the solid state, Li4[(1)3Ti2] exhibits a highly symmetric structure with three lithium cations bound to the meso‐helicate tetraanion. 6Li NMR together with 1H NMR studies at variable temperature revealed that, in solution, an unsymmetrical „bowl‐shaped”︁ species is formed with only two Li+ bound to the anion. A methyl substituent on the methylene spacer of the di(catechol) ligand (ligand 2) led to supramolecular systems with new stereocenters and thus a higher content of information. However, only one of the four possible diastereoisomeric metal complexes of [(2)3Ti2]4‐ was observed. A third type of ligand, with a methyl group attached to one terminus of the linear ligand, was also investigated. The synthesis of such an unsymmetrical ligand, 3‐H4, was readily achieved starting from 2,3‐dimethoxyben‐zyl alcohol (4) and 2,3‐dimethoxybenz‐aldehyde (6). Upon complexation, the ligand 3‐H4 led to a statistical mixture of the two possible isomers of the dinuclear titanium(IV) complex [(3)3Ti2]4‐.