(3-Methoxycarbonylmethyl-1,4-dioxo-2a,10b-diphenyl-2a,3,4,5,10,10b-hexahydro-2,3,4a,10a-tetraaza-benzo[g]cyclopenta[cd]azulen-2-yl)-acetic acid methyl ester | 740800-72-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (3-Methoxycarbonylmethyl-1,4-dioxo-2a,10b-diphenyl-2a,3,4,5,10,10b-hexahydro-2,3,4a,10a-tetraaza-benzo[g]cyclopenta[cd]azulen-2-yl)-acetic acid methyl ester
• 英文别名: Methyl 2-[14-(2-methoxy-2-oxoethyl)-11,15-dioxo-13,16-diphenyl-1,10,12,14-tetrazatetracyclo[8.5.1.03,8.013,16]hexadeca-3,5,7-trien-12-yl]acetate；methyl 2-[14-(2-methoxy-2-oxoethyl)-11,15-dioxo-13,16-diphenyl-1,10,12,14-tetrazatetracyclo[8.5.1.03,8.013,16]hexadeca-3,5,7-trien-12-yl]acetate
• CAS: 740800-72-0
• 化学式: C₃₀H₂₈N₄O₆
• 分子量: 540.576
• InChiKey: FCPDUPHBSXYLRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3-Methoxycarbonylmethyl-1,4-dioxo-2a,10b-diphenyl-2a,3,4,5,10,10b-hexahydro-2,3,4a,10a-tetraaza-benzo[g]cyclopenta[cd]azulen-2-yl)-acetic acid methyl ester 在 甲醇 、 lithium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 1.0h， 生成 N-(4-Fluoro-phenyl)-2-{3-[(4-fluoro-phenylcarbamoyl)-methyl]-1,4-dioxo-2a,10b-diphenyl-2a,3,4,5,10,10b-hexahydro-2,3,4a,10a-tetraaza-benzo[g]cyclopenta[cd]azulen-2-yl}-acetamide
  参考文献：
  名称：

  Carboxylate anion selective receptor with glycoluril molecular scaffold

  摘要：

  Glycoluril based tweezer-type receptor has been designed and synthesized. Anion binding studies carried out using H-1 NMR and UV-vis revealed that this compound displays good affinities for Y-shaped anions Such as acetate and benzoate, while binding spherical-shaped anions and tetrahedral-shaped anions only weakly. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.040
• 作为产物：
  描述：

  3a,6a-二苯基甘脲 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 7.75h， 生成 (3-Methoxycarbonylmethyl-1,4-dioxo-2a,10b-diphenyl-2a,3,4,5,10,10b-hexahydro-2,3,4a,10a-tetraaza-benzo[g]cyclopenta[cd]azulen-2-yl)-acetic acid methyl ester
  参考文献：
  名称：

  Carboxylate anion selective receptor with glycoluril molecular scaffold

  摘要：

  Glycoluril based tweezer-type receptor has been designed and synthesized. Anion binding studies carried out using H-1 NMR and UV-vis revealed that this compound displays good affinities for Y-shaped anions Such as acetate and benzoate, while binding spherical-shaped anions and tetrahedral-shaped anions only weakly. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.040

文献信息

• Carboxylate anion selective receptor with glycoluril molecular scaffold
  作者：Jongmin Kang、Jee-hye Jo、Sungjae In

  DOI：10.1016/j.tetlet.2004.05.040

  日期：2004.6

  Glycoluril based tweezer-type receptor has been designed and synthesized. Anion binding studies carried out using H-1 NMR and UV-vis revealed that this compound displays good affinities for Y-shaped anions Such as acetate and benzoate, while binding spherical-shaped anions and tetrahedral-shaped anions only weakly. (C) 2004 Elsevier Ltd. All rights reserved.