(8R,9S,13S,14S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid allyl ester | 122618-00-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (8R,9S,13S,14S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid allyl ester
• CAS: 122618-00-2
• 化学式: C₂₃H₂₈O₄
• 分子量: 368.473
• InChiKey: ONVALMKJDMSBHH-VFLVIDIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (8R,9S,13S,14S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid allyl ester 在 sodium hydride 、 1-氟-2,4,6-三甲基吡啶三氟甲烷磺酸盐 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以78%的产率得到16β-allyloxycarbonyl-16α-fluoroestrone methyl ether
  参考文献：
  名称：

  Synthesis of α-fluoroketones based on palladium-catalyzed Decar☐ylation reactions of allyl β-keto car☐ylates

  摘要：

  Fluorination of allyl beta-keto carboxylates using N-fluoro-2,4,6-pyridinium triflate gave allyl a-fluoro-a-keto carboxylates. Reaction of allyl alpha-fluoro-beta-keto carboxylates with formic acid in the presence of palladium-phosphine catalyst gave alpha-fluoro ketones. When the palladium-catalyzed reaction was carried out without formic acid, the decarboxylation-allylation took place to give alpha-fluoro-allylketones. Decarboxylation-dehydrogenation to afford alpha-fluoro-alpha,beta-unsaturated ketones was carried out with palladium catalysts in acetonitrile.

  DOI：

  10.1016/s0040-4020(01)80770-5
• 作为产物：
  描述：

  3-甲氧基雌酮 在 1-chloro-3-hydroxy-1,1,3,3-tetrabutyldistannoxane potassium hydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 7.0h， 生成 (8R,9S,13S,14S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid allyl ester
  参考文献：
  名称：

  Synthesis of α-fluoroketones based on palladium-catalyzed Decar☐ylation reactions of allyl β-keto car☐ylates

  摘要：

  Fluorination of allyl beta-keto carboxylates using N-fluoro-2,4,6-pyridinium triflate gave allyl a-fluoro-a-keto carboxylates. Reaction of allyl alpha-fluoro-beta-keto carboxylates with formic acid in the presence of palladium-phosphine catalyst gave alpha-fluoro ketones. When the palladium-catalyzed reaction was carried out without formic acid, the decarboxylation-allylation took place to give alpha-fluoro-allylketones. Decarboxylation-dehydrogenation to afford alpha-fluoro-alpha,beta-unsaturated ketones was carried out with palladium catalysts in acetonitrile.

  DOI：

  10.1016/s0040-4020(01)80770-5

文献信息

• Characteristic Behavior of Chemisorbed Oxygen towards CO on Ag Surface
  作者：Kenzi Tamaru

  DOI：10.1246/cl.1999.577

  日期：1999.7

  When oxygen reacts with CO on Ag surface, the silver surface is fully coveed by oxygen, but only a limited part of the chemisorbed oxygen participates in the reaction. Such characteristic behavior was discussed on the basis of STM observation.

  当氧气与一氧化碳在银表面发生反应时，银表面完全被氧气覆盖，但只有有限的化学吸附氧参与反应。我们根据 STM 观察结果讨论了这种特征行为。