1,3,5-benzenetrioxytriacetic acid tri-(3-tert-butyl-5-formyl-4-hydroxy-phenyl)ester | 616873-79-1

• 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: 1,3,5-benzenetrioxytriacetic acid tri-(3-tert-butyl-5-formyl-4-hydroxy-phenyl)ester
• 英文别名: (3-Tert-butyl-5-formyl-4-hydroxyphenyl) 2-[3,5-bis[2-(3-tert-butyl-5-formyl-4-hydroxyphenoxy)-2-oxoethoxy]phenoxy]acetate；(3-tert-butyl-5-formyl-4-hydroxyphenyl) 2-[3,5-bis[2-(3-tert-butyl-5-formyl-4-hydroxyphenoxy)-2-oxoethoxy]phenoxy]acetate
• CAS: 616873-79-1
• 化学式: C₄₅H₄₈O₁₅
• 分子量: 828.867
• InChiKey: KRCXWTODWWYQHU-UHFFFAOYSA-N

物化性质

• 熔点：
  84-86 °C
• 沸点：
  893.4±65.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  60
• 可旋转键数：
  21
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  219
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  间苯三酚 在 4-二甲氨基吡啶 、 sodium hydroxide 、 18-冠醚-6 、 二异丙基氨腈 、 potassium carbonate 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 48.0h， 生成 1,3,5-benzenetrioxytriacetic acid tri-(3-tert-butyl-5-formyl-4-hydroxy-phenyl)ester
  参考文献：
  名称：

  Polymeric salen-Ti(IV) or V(V) complex catalyzed asymmetric synthesis of O-acetylcyanohydrins from KCN, Ac2O and aldehydes

  摘要：

  Polymeric salen-Ti(IV) and V(V) complexes were employed in the enantioselective O-acetyl cyanation of aldehydes with potassium cyanide and acetic anhydride. The crosslinked polymeric salen-Ti(IV) catalyst exhibited good activities and enantioselectivities, up to 91 % ee with 99 % conversion was obtained at -20degreesC with 1 mol % of catalyst (based on bimetallic catalytic unit). Moreover, six consecutive recyclings with the easily recovered crosslinked polymeric catalyst showed no obvious decrease in either activity or enantioselectivity. Linear polymeric salen-V(V) catalyst showed good catalytic efficiency too, up to 94 % ee with 99 % conversion was obtained at -42degreesC with 5 mol % of catalyst. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.078

文献信息

• Highly enantioselective resolution of terminal epoxides with cross-linked polymeric salen–Co(III) complexes
  作者：Yuming Song、Huilin Chen、Xinquan Hu、Changmin Bai、Zhuo Zheng

  DOI：10.1016/s0040-4039(03)01786-6

  日期：2003.9

  Crosslinked polymeric salen–Co(III) complexes derived from a novel dialdehyde and a trialdehyde were synthesized and employed in the hydrolytic kinetic resolution (HKR) of terminal epoxides. Up to 99% ee were obtained with only 0.16–0.02 mol% of catalyst (based on catalytic unit).

  合成了衍生自新型二醛和三醛的交联的聚合物Salen-Co（III）配合物，并将其用于末端环氧化物的水解动力学拆分（HKR）。仅用0.16-0.02 mol％的催化剂（基于催化单元）就可得到高达99％的ee。
• Polymeric salen-Ti(IV) or V(V) complex catalyzed asymmetric synthesis of O-acetylcyanohydrins from KCN, Ac2O and aldehydes
  作者：Wei Huang、Yuming Song、Jing Wang、Guoying Cao、Zhuo Zheng

  DOI：10.1016/j.tet.2004.08.078

  日期：2004.11

  Polymeric salen-Ti(IV) and V(V) complexes were employed in the enantioselective O-acetyl cyanation of aldehydes with potassium cyanide and acetic anhydride. The crosslinked polymeric salen-Ti(IV) catalyst exhibited good activities and enantioselectivities, up to 91 % ee with 99 % conversion was obtained at -20degreesC with 1 mol % of catalyst (based on bimetallic catalytic unit). Moreover, six consecutive recyclings with the easily recovered crosslinked polymeric catalyst showed no obvious decrease in either activity or enantioselectivity. Linear polymeric salen-V(V) catalyst showed good catalytic efficiency too, up to 94 % ee with 99 % conversion was obtained at -42degreesC with 5 mol % of catalyst. (C) 2004 Elsevier Ltd. All rights reserved.