N,N',N",N"'-tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane | 102202-74-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N',N",N"'-tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 1,4,7,10-tetrakis(2-methoxyxyethyl)-1,4,7,10-tetraazacyclododecane；1,4,7,10-Tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane；1,4,7,10-tetrakis(2-methoxyethyl)-1,4,7,10-tetrazacyclododecane
• CAS: 102202-74-4
• 化学式: C₂₀H₄₄N₄O₄
• 分子量: 404.594
• InChiKey: MHTPYKAWMNRZKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-碘丁烷 、 N,N',N",N"'-tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane 生成 1,4,7,10-Tetrakis-(2-butoxy-ethyl)-1,4,7,10-tetraaza-cyclododecane
  参考文献：
  名称：

  Buoen, Solfrid; Dale, Johannes, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 4, p. 278 - 282

  摘要：

  DOI：
• 作为产物：
  描述：

  在 甲醇 、 sodium methylate 作用下， 生成 N,N',N",N"'-tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Buoen, Solfrid; Dale, Johannes, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 4, p. 278 - 282

  摘要：

  DOI：

文献信息

• From Cyclic Peptoids to Peraza-macrocycles: A General Reductive Approach
  作者：Rosaria Schettini、Assunta D’Amato、Giovanni Pierri、Consiglia Tedesco、Giorgio Della Sala、Oriana Motta、Irene Izzo、Francesco De Riccardis

  DOI：10.1021/acs.orglett.9b02668

  日期：2019.9.20

  Peraza-macrocycles form chelates of high thermodynamic and kinetic stability useful in diagnostic imaging (MRI, SPECT, PET), in coordination chemistry, and as catalysts. In this letter, we report an advantageous method to prepare these compounds via BH3-induced reduction of cyclic peptoids. Using this procedure, 10 homo- and heterosubstituted aza-coronands, with different sizes and side chains, have been synthesized from the corresponding cyclic oligoamides. Solid structures of free, protonated, and Na+ coordinated polyaza-derivatives have been disclosed by single crystal X-ray diffraction analysis.
• Complexation of the sodium ion by a pendant-arm tetraaza macrocyclic ligand in aqueous solution
  作者：Ashley K. W. Stephens、Stephen F. Lincoln

  DOI：10.1039/dt9930002123

  日期：——

  The first pendant-arm tetraaza macrocyclic sodium(I) complex to be quantitatively kinetically characterized in aqueous solution, N,N',N'',N'''-tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclo-dodecanesodium(I), has an apparent stability constant K = 159 +/- 18 dm3 mol-1 in aqueous 0.100 mol dm-3 NEtClO4 at 298.2 K, and is more stable than its other alkali-metal ion analogues, as shown by potentiometric titration methods. Variable-temperature Na-23 NMR spectroscopy showed sodium ion exchange on this complex to be characterized by k(d) (298.2 K) = 70.3 +/- 2.3 s-1, DELTAH(d)double dagger = 64.0 +/- 0.7 kJ mol-1 and DELTAS(d)double dagger = 5.1 +/- 2.1 J K-1 mol-1, where k(d) is a monomolecular decomplexation rate constant. The protonation of N,N',N'',N--tetrakis(2-methoxyethyl)-1,4,7,10-tetraazacyclododecane is characterized by pK(a) values (+/- 0.05) of 10.92, 8.04 and 2.17, and the log(K/dm3 mol-1) values for its complexes with Mg2+, Ca2+, Sr2+ and Ba2+ are 2.47, 5.47, 5.00 and 4.72 (all +/- 0.05), respectively.
• VUZHUSTOEN, S.;DALE, J., ACTA CHEM. SCAND., 1986, 40, N 4, 278-282
  作者：VUZHUSTOEN, S.、DALE, J.

  DOI：——

  日期：——
• Buoen, Solfrid; Dale, Johannes, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 4, p. 278 - 282
  作者：Buoen, Solfrid、Dale, Johannes

  DOI：——

  日期：——