4-nitrophenyl 2-(4-(tert-butyl)phenyl)acetate | 27904-81-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-nitrophenyl 2-(4-(tert-butyl)phenyl)acetate
• 英文别名: (4-nitrophenyl) 2-(4-tert-butylphenyl)acetate
• CAS: 27904-81-0
• 化学式: C₁₈H₁₉NO₄
• 分子量: 313.353
• InChiKey: IJNVRDALWDTQNC-UHFFFAOYSA-N

物化性质

• 沸点：
  458.4±38.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  69.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl 2-(4-(tert-butyl)phenyl)acetate 在 正丁胺 作用下， 生成 对硝基苯酚
  参考文献：
  名称：

  Dendrimer Poly(ethylenimine)s Linked to β-Cyclodextrin

  摘要：

  beta-Cyclodextrin was attached to two dendrimer poly(ethylenimine)s. The resulting cyclodextrin-containing dendrimers, CD-I and CD-II, can be considered either as dendrimers equipped with specific binding sites or as cyclodextrins containing amino groups around the cavities. Amines of CD-I and CD-II remarkably resisted protonation compared with those of the parent dendrimers. A compact conformation of CD-I or CD-II in which the dendrimer wraps itself around the cyclodextrin is proposed as a conformation consistent with the suppressed protonation. Esters containing t-butylphenyl groups were complexed by CD-I and CD-II and underwent fast deacylation. Kinetic data were obtained with several ester substrates, which revealed that two amino groups located in the vicinity of each cyclodextrin cavity of CD-I or CD-II participated as nucleophiles. In addition, optimum reactivity was attained when the spacer connecting the t-butylphenyl and the ester groups was -O-CH2- or -CH=CH-. Structures of the active sites for the accelerated deacylation of esters were elucidated on the basis of the kinetic data. (C) 1997 Academic Press.

  DOI：

  10.1006/bioo.1996.1054
• 作为产物：
  描述：

  4-叔丁基苯乙腈 在 4-二甲氨基吡啶 、 sodium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-nitrophenyl 2-(4-(tert-butyl)phenyl)acetate
  参考文献：
  名称：

  Dendrimer Poly(ethylenimine)s Linked to β-Cyclodextrin

  摘要：

  beta-Cyclodextrin was attached to two dendrimer poly(ethylenimine)s. The resulting cyclodextrin-containing dendrimers, CD-I and CD-II, can be considered either as dendrimers equipped with specific binding sites or as cyclodextrins containing amino groups around the cavities. Amines of CD-I and CD-II remarkably resisted protonation compared with those of the parent dendrimers. A compact conformation of CD-I or CD-II in which the dendrimer wraps itself around the cyclodextrin is proposed as a conformation consistent with the suppressed protonation. Esters containing t-butylphenyl groups were complexed by CD-I and CD-II and underwent fast deacylation. Kinetic data were obtained with several ester substrates, which revealed that two amino groups located in the vicinity of each cyclodextrin cavity of CD-I or CD-II participated as nucleophiles. In addition, optimum reactivity was attained when the spacer connecting the t-butylphenyl and the ester groups was -O-CH2- or -CH=CH-. Structures of the active sites for the accelerated deacylation of esters were elucidated on the basis of the kinetic data. (C) 1997 Academic Press.

  DOI：

  10.1006/bioo.1996.1054

文献信息

• Chiral Lewis Base‐Catalysed Asymmetric Syntheses of Benzo‐fused ϵ‐Lactones
  作者：Lotte Stockhammer、Maximilian Radetzky、Syeda Sadia Khatoon、Matthias Bechmann、Mario Waser

  DOI：10.1002/ejoc.202300704

  日期：2023.10.16

  An asymmetric protocol for the synthesis of novel benzofused ϵ-lactones starting from quinone methides and activated acetic acid esters using chiral isothiourea Lewis base catalysts has been developed.

  已经开发了一种不对称方案，用于使用手性异硫脲 Lewis 碱催化剂从醌甲化物和活性乙酸酯合成新型苯并化 ε-内酯。