(1S,3R,7aS)-1-tert-Butoxy-3-hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one | 136671-65-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,7aS)-1-tert-Butoxy-3-hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
• CAS: 136671-65-3
• 化学式: C₁₄H₂₂O₃
• 分子量: 238.327
• InChiKey: MDWMQURGUPPALB-DYEKYZERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (1S,7aS)-1-tert-butoxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one 在 Rhizopus arrhizus ATCC 11145 作用下， 以 水 为溶剂， 反应 22.0h， 生成 (1S,3R,7aS)-1-tert-Butoxy-3-hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one 、 (1S,3S,7aS)-1-tert-Butoxy-3-hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
  参考文献：
  名称：

  Chemobiological transformations of octalone and hydrindenone derivatives

  摘要：

  Examples are given for allylic hydroxylations with Rhizopus arrhizus ATCC 11145. Chemical allylic hydroxylations are compared with microbiological ones. Stereoselective lipase-catalyzed hydrolyses are used efficiently.

  DOI：

  10.1016/s0040-4020(01)85563-0

文献信息

• Biohydroxylations of hydrindenone derivatives
  作者：Siméon Arséniyadis、Jamal Ouazzani、Ricardo Rodriguez、Angel Rumbero、Guy Ourisson

  DOI：10.1016/0040-4039(91)80837-v

  日期：1991.7

  Antipodal hydrindenones are hydroxylated at the position gamma to the alpha,beta-unsaturated ketone as efficiently in both series.
• Chemobiological transformations of octalone and hydrindenone derivatives
  作者：Siméon Arseniyadis、Ricardo Rodriguez、Manuel Muñoz Dorado、Rosemeire Brondi Alves、Jamal Ouazzani、Guy Ourisson

  DOI：10.1016/s0040-4020(01)85563-0

  日期：1994.1

  Examples are given for allylic hydroxylations with Rhizopus arrhizus ATCC 11145. Chemical allylic hydroxylations are compared with microbiological ones. Stereoselective lipase-catalyzed hydrolyses are used efficiently.