N-acetic acid-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane | 210178-21-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-acetic acid-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane
• 英文别名: 2-(2,5,11,14-Tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)acetic acid
• CAS: 210178-21-5
• 化学式: C₁₆H₂₃NO₆
• 分子量: 325.362
• InChiKey: UHCNHDZNKGIXER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-acetic acid-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane 、 europium(III) perchlorate hydrate 在 原甲酸三乙酯 作用下， 以 乙醇 为溶剂， 生成 Eu(perchlorate)2(N-acetate-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane)*EtOH
  参考文献：
  名称：

  Characterization and photophysical properties of lanthanide macrocyclic complexes derived from (2,1)

  摘要：

  The isolation and characterization of Ln(NO3)(3) complexes (Ln=La, Pr, Nd, Eu, Tb, Lu) with 2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopenta-decane (L-1) and two of its N-substituted derivatives (L-2, L-3) are reported. Structural information in the solid state is derived from spectroscopic data (vibrational, absorption, reflectance and luminescence spectra). Both ligand- and metal-centered luminescence of solutions of the complexes in oxygen-free and anhydrous acetonitrile are investigated. Substitution of the N-proton of the crown ether enhances metal emission. Ligand L-2 displays a good antenna effect for Eu-III luminescence, while L-3 is especially effective in transferring energy from its triplet state onto the excited states of Tb-III. The Eu-III site in Eu(NO3)(3)L-2. 0.5C(2)H(5)OH . 1.5H(2)O possesses a low local symmetry and a relatively long D-5(0) lifetime (1.01 ms). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00070-4
• 作为产物：
  描述：

  ethyl 2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzo-tetraoxaazacyclopentadecin-7-ylacetate 在 水 作用下， 生成 N-acetic acid-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane
  参考文献：
  名称：

  Carboxylic Groups as Cofactors in the Lanthanide-Catalyzed Hydrolysis of Phosphate Esters. Stabilities of Europium(III) Complexes with Aza-benzo-15-crown-5 Ether Derivatives and Their Catalytic Activity vs Bis(p-nitrophenyl)phosphate and DNA

  摘要：

  [GRAPHICS]The stability of europium(III) complexes with benzocrown ether derivatives 2-4 containing carboxylic functions with methylene spacers of different length was found to vary surprisingly little. In sharp contrast, the hydrolytic activity of these catalysts against bis(p-nitrophenyl)-phosphate (BNPP) varied by a factor of 30. The results show for the first time the efficiency of the carboxylic group as cofactor in phosphate ester hydrolysis, which until now was established only in some enzymes, Other than with BNPP, the hydrolysis with plasmid DNA (nicking experiments) showed no rate enhancement.

  DOI：

  10.1021/ol990083s