(4aS,10aS)-7-chloro-4a-methoxy-10,10-bis(phenylsulfonyl)-4a,9,10,10a-tetrahydrophenanthren-2(1H)-one | 1334538-95-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4aS,10aS)-7-chloro-4a-methoxy-10,10-bis(phenylsulfonyl)-4a,9,10,10a-tetrahydrophenanthren-2(1H)-one
• 英文别名: (4aS,10aS)-10,10-bis(benzenesulfonyl)-7-chloro-4a-methoxy-9,10a-dihydro-1H-phenanthren-2-one
• CAS: 1334538-95-2
• 化学式: C₂₇H₂₃ClO₆S₂
• 分子量: 543.061
• InChiKey: SHIQMLNVXVILTN-IZZNHLLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(2-(2,2-bis(phenylsulfonyl)ethyl)-4-chlorophenyl)-4-methoxycyclohexa-2,5-dienone 在 1-(3,5-bis(trifluoromethyl)phenyl)-3-[(R)-(quinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl]urea 作用下， 以 DCE 为溶剂， 反应 48.0h， 生成 (4aR,10aR)-7-chloro-4a-methoxy-10,10-bis(phenylsulfonyl)-4a,9,10,10a-tetrahydrophenanthren-2(1H)-one 、 (4aS,10aS)-7-chloro-4a-methoxy-10,10-bis(phenylsulfonyl)-4a,9,10,10a-tetrahydrophenanthren-2(1H)-one
  参考文献：
  名称：

  Desymmetrization of Cyclohexadienones via Asymmetric Michael Reaction Catalyzed by Cinchonine-Derived Urea

  摘要：

  Desymmetrization of cyclohexadienones bearing a bisphenylsulfonyl methylene group via asymmetric Michael reaction catalyzed by cinchonine-derived urea was realized to afford a series of highly enantioenriched polycyclic cyclohexenones in high yields and ee's.

  DOI：

  10.1021/ol202073p

文献信息

• Desymmetrization of Cyclohexadienones via Asymmetric Michael Reaction Catalyzed by Cinchonine-Derived Urea
  作者：Qing Gu、Shu-Li You

  DOI：10.1021/ol202073p

  日期：2011.10.7

  Desymmetrization of cyclohexadienones bearing a bisphenylsulfonyl methylene group via asymmetric Michael reaction catalyzed by cinchonine-derived urea was realized to afford a series of highly enantioenriched polycyclic cyclohexenones in high yields and ee's.