5-[(E)-{(3Z)-6-羟基-4-羰基-3-[2-(4-磺酸根苯基)肼亚基]环己-1,5-二烯-1-基}二氮烯基]-2,4-二甲基苯磺酸二钠 | 72776-83-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 5-[(E)-{(3Z)-6-羟基-4-羰基-3-[2-(4-磺酸根苯基)肼亚基]环己-1,5-二烯-1-基}二氮烯基]-2,4-二甲基苯磺酸二钠
• 英文名称: 8-acetyltetracyclo<4.3.0.0^2,4.0^3,7>nonane
• 英文别名: 1-(8-Tetracyclo[4.3.0.02,4.03,7]nonanyl)ethanone
• CAS: 72776-83-1
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: AEVIFEPNQZESEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  Tetracyclo<4.3.0.0^2,4.0^3,7>nonan-8-carbonsaeure 、 甲基锂 生成 5-[(E)-{(3Z)-6-羟基-4-羰基-3-[2-(4-磺酸根苯基)肼亚基]环己-1,5-二烯-1-基}二氮烯基]-2,4-二甲基苯磺酸二钠
  参考文献：
  名称：

  NICKON A.; KWASNIK H. R.; MATHEW C. T.; SWARTZ T. D.; WILLIAMS R. O.; DIG+, J. ORG. CHEM., 1978, 43, NO 20, 3904-3916

  摘要：

  DOI：

文献信息

• BETPOBA, O. B.;KATSMAN, E. A.;YAMPOLSKIJ, YU. YU.;CHERNYX, S. P.;DOLGIJ, +
  作者：BETPOBA, O. B.、KATSMAN, E. A.、YAMPOLSKIJ, YU. YU.、CHERNYX, S. P.、DOLGIJ, +

  DOI：——

  日期：——
• Kinetic and Modeling Studies on the Nickel-Catalyzed Homo-Diels−Alder Addition of 7-Substituted Norbornadienes
  作者：M. M. Gugelchuk、A. L. Doherty-Kirby

  DOI：10.1021/jo951849e

  日期：1996.1.1

  Pseudo-first-order rate constants have been determined for several 7-substituted norbornadienes in their nickel-catalyzed homo-Diels-Alder cycloaddition with methyl vinyl ketone. The rate of reaction was slightly influenced by the nature of the substituent. Relative reactivities followed the order 7-Ph > H > 7-OTIPS. The observed activation parameters (Delta H-double dagger 15-18 kcal/mol; Delta S-double dagger = -19 to -24 cal/mol K) were also affected by the 7-substituent and are in good agreement with those established for reductive elimination from related nickel phosphine complexes. With regard to regioselectivity, the more reactive norbornadiene was also the less selective. Force field modeling studies of possible organonickel intermediates suggest that the preferred exo selectivity arises from steric interactions between the dienophile substituent and the phosphine ligands. Good qualitative and quantitative agreement with observed exo stereoselectivity was found with three of the five model systems studied. Of these three models, reasonably good agreement with regioselectivity was found with only one of them.
• Antiviral tetracyclononane derivatives, processes for their manufacture and pharmaceutical compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0002896B1

  公开（公告）日：1982-05-05
• Vetrova, O. B.; Katsman, E. A.; Zhavoronkov, I. P., Russian Journal of Organic Chemistry, 1991, vol. 27, # 12, p. 2338 - 2339
  作者：Vetrova, O. B.、Katsman, E. A.、Zhavoronkov, I. P.、Karasev, Yu. Z.、Dolgii, I. E.

  DOI：——

  日期：——