(15R,19S)-17-(3-methylpyridin-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | 86443-23-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基四氢萘木脂素
• 英文名称: (15R,19S)-17-(3-methylpyridin-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
• CAS: 86443-23-4；122889-91-2
• 化学式: C₂₄H₁₈N₂O₂
• 分子量: 366.419
• InChiKey: BRHQJFSBRQAMLJ-ZAYGCWILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (15R,19S)-17-(3-methylpyridin-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione 、 silver tetrafluoroborate 以 氘代甲醇 、 二氯甲烷-D2 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Measurement of Silver−π Interactions in Solution Using Molecular Torsion Balances

  摘要：

  A new series of molecular torsion balances were designed to measure the strength of individual Ag-pi interactions in solution for an Ag(I) coordinated to a pyridine nitrogen. The formation of a well-defined intramolecular Ag-pi interaction in these model systems was verified by X-ray crystallography and H-1 NMR. The strength of the intramolecular Ag-pi interaction in solution was found to be stabilizing in nature and quantified to be -1.34 to -2.63 kcal/mol using a double mutant cycle analysis. The Ag-pi interaction was also found to be very sensitive to changes in geometry or solvent environment.

  DOI：

  10.1021/jacs.5b04554
• 作为产物：
  描述：

  蒽 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 36.0h， 生成 (15R,19S)-17-(3-methylpyridin-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
  参考文献：
  名称：

  Measurement of Silver−π Interactions in Solution Using Molecular Torsion Balances

  摘要：

  A new series of molecular torsion balances were designed to measure the strength of individual Ag-pi interactions in solution for an Ag(I) coordinated to a pyridine nitrogen. The formation of a well-defined intramolecular Ag-pi interaction in these model systems was verified by X-ray crystallography and H-1 NMR. The strength of the intramolecular Ag-pi interaction in solution was found to be stabilizing in nature and quantified to be -1.34 to -2.63 kcal/mol using a double mutant cycle analysis. The Ag-pi interaction was also found to be very sensitive to changes in geometry or solvent environment.

  DOI：

  10.1021/jacs.5b04554

文献信息

• Mahanti, Subodh; Verma, S. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 12, p. 1098 - 1101
  作者：Mahanti, Subodh、Verma, S. M.

  DOI：——

  日期：——
• MAHANTI, S.;VERMA, S. M., INDIAN J. CHEM., 1982, 21, N 12, 1098-1101
  作者：MAHANTI, S.、VERMA, S. M.

  DOI：——

  日期：——
• Measurement of Silver−π Interactions in Solution Using Molecular Torsion Balances
  作者：Josef M. Maier、Ping Li、Jungwun Hwang、Mark D. Smith、Ken D. Shimizu

  DOI：10.1021/jacs.5b04554

  日期：2015.7.1

  A new series of molecular torsion balances were designed to measure the strength of individual Ag-pi interactions in solution for an Ag(I) coordinated to a pyridine nitrogen. The formation of a well-defined intramolecular Ag-pi interaction in these model systems was verified by X-ray crystallography and H-1 NMR. The strength of the intramolecular Ag-pi interaction in solution was found to be stabilizing in nature and quantified to be -1.34 to -2.63 kcal/mol using a double mutant cycle analysis. The Ag-pi interaction was also found to be very sensitive to changes in geometry or solvent environment.