3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | 83231-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
• 英文别名: 3,3,6,6-tetramethyl-10-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• CAS: 83231-61-2
• 化学式: C₂₄H₂₉NO₂
• 分子量: 363.5
• InChiKey: ANBOWCQRXCDQPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione 在 氧气 作用下， 以 乙醇 为溶剂， 生成 3,3,6,6-tetramethyl-10-(4-methylphenyl)-4,7-dihydro-2H-acridine-1,8-dione
  参考文献：
  名称：

  Mel'nik, M. V.; Kornilov, M. Yu.; Turov, A. V., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 1272 - 1277

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[(4,4-二甲基-2,6-二氧代环己基)甲基]-5,5-二甲基环己烷-1,3-二酮 、 乙烷,三氯氟- 生成 3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
  参考文献：
  名称：

  3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  摘要：

  The title molecule, C24H29NO2, consists Of a partially hydrogenated acridine ring system with one phenyl substituent on the dihydropyridine ring. The compound crystalizes with a half molecule per asymmetric unit, which has twofold symmetry. The dihydropyridine ring is almost planar, whereas both the outer rings adopt half-chair conformations.

  DOI：

  10.1107/s0108270195010171

文献信息

• Bakibaev, A. A., Russian Journal of Organic Chemistry, 1994, vol. 30, # 7.2, p. 1109 - 1112
  作者：Bakibaev, A. A.

  DOI：——

  日期：——
• Shanmugasundaram, Palanisamy; Prabahar, K. Joseph; Ramakrishnan, Vayalakkavoor T., Journal of Heterocyclic Chemistry, 1993, vol. 30, # 4, p. 1003 - 1008
  作者：Shanmugasundaram, Palanisamy、Prabahar, K. Joseph、Ramakrishnan, Vayalakkavoor T.

  DOI：——

  日期：——
• MELNIK, M. V.;KORNILOV, M. YU.;TUROV, A. V.;GUTSULYAK, B. M., ZH. ORGAN. XIMII, 1982, 18, N 7, 1460-1466
  作者：MELNIK, M. V.、KORNILOV, M. YU.、TUROV, A. V.、GUTSULYAK, B. M.

  DOI：——

  日期：——
• Mel'nik, M. V.; Kornilov, M. Yu.; Turov, A. V., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 1272 - 1277
  作者：Mel'nik, M. V.、Kornilov, M. Yu.、Turov, A. V.、Gutsulyak, B. M.

  DOI：——

  日期：——
• 3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
  作者：J. Sivaraman、K. Subramanian、D. Velmurugan、E. Subramanian、P. S. Shanmugasundram

  DOI：10.1107/s0108270195010171

  日期：1996.2.15

  The title molecule, C24H29NO2, consists Of a partially hydrogenated acridine ring system with one phenyl substituent on the dihydropyridine ring. The compound crystalizes with a half molecule per asymmetric unit, which has twofold symmetry. The dihydropyridine ring is almost planar, whereas both the outer rings adopt half-chair conformations.