tert-Butyl-((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-dimethyl-silane | 138814-72-9

• 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: tert-Butyl-((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-dimethyl-silane
• CAS: 138814-72-9
• 化学式: C₂₅H₄₂OSi
• 分子量: 386.693
• InChiKey: ZZZZDGUFTHKYMW-BKWLFHPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  Carbonic acid (3S,8R,9S,10R,13S,14S,17S)-17-(tert-butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester methyl ester 在 palladium diacetate 、 三丁基膦 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以99%的产率得到tert-Butyl-((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-dimethyl-silane
  参考文献：
  名称：

  选自Pd（OAc）高活性的Pd（O）催化剂2 Bu 3：1的比例：制备，反应性，并且在未开发的1个P组合31 P-NMR

  摘要：

  Pd（OAc）2与Bu 3 P（1：1）在苯或THF中的反应提供了非常活泼的零价钯物质，为浅黄色溶液，其性质已基于催化反应性和这种催化剂与由Pd 2（dba）3和过量的Bu 3 P制备的催化剂之间具有31 P { 1 H} -NMR特征。

  DOI：

  10.1016/s0040-4039(00)60455-0

文献信息

• Stereocontrolled formation of cis and trans ring junctions in hydrindane, decalin, and steroid systems by palladium-catalyzed regioselective and stereospecific hydrogenolysis of allylic formates
  作者：Tadakatsu Mandai、Takaji Matsumoto、Mikio Kawada、Jiro Tsuji

  DOI：10.1016/s0040-4020(01)87264-1

  日期：1993.1

  cis and trans ring junctions can be generated selectively in hydrindane, decalin and steroid systems by the palladium-catalyzed regioselective and stereospecific decarboxylation-hydrogenolysis of allylic formates. The trans junctions were formed from 3β allylic formates of decalin and steroid and 5β allylic formates of hydrindane. The corresponding 3α and 5α formates generate the cis ring junction.

  无论是顺式和反式环结可以选择性地氢化茚，萘烷和类固醇系统由烯丙基甲酸盐的钯催化的区域选择性和立体有择的脱羧-氢解来产生。所述反式结从十氢萘的3β烯丙基甲酸盐和类固醇和氢化茚的5β烯丙基甲酸盐形成。相应的3α和5α晶型生成顺式环结。
• A novel preparative method for homo- and heteroannular conjugated dienes in decalin derivatives by the palladium-catalyzed regioselective elimination reaction of allylic carbonates under mild conditions
  作者：Tadakatsu Mandai、Takaji Matsumoto、Yoshiki Nakao、Hisami Teramoto、Mikio Kawada、Jiro Tsuji

  DOI：10.1016/s0040-4039(00)92239-1

  日期：1992.4

  Homoannular conjugated dienes in decalin systems can be prepared by the palladium-catalyzed elimination reaction of α-allylic carbonates and heteroannular dienes are obtained from β-allylic carbonates.

  萘烷体系中的同环共轭二烯可以通过α-烯丙基碳酸酯的钯催化消除反应来制备，并且异环二烯由β-烯丙基碳酸酯获得。
• Stereocontrolled formation of cis and trans ring junctions in hydrindane and decalin systems by palladium-catalyzed regioselective and stereospecific hydrogenolysis of allylic formates
  作者：Tadakatsu Mandai、Takaji Matsumoto、Mikio Kawada、Jiro Tsuji

  DOI：10.1021/jo00031a005

  日期：1992.2

  Both cis and trans ring junctions can be generated selectively in hydrindane, decalin, and steroid systems by the palladium-catalyzed regioselective and stereospecific hydrogenolysis of allylic formates.