methyl (1S,3R,7aS)-3-hydroxy-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate | 136671-74-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (1S,3R,7aS)-3-hydroxy-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
• CAS: 136671-74-4
• 化学式: C₁₆H₂₄O₅
• 分子量: 296.364
• InChiKey: VJHGSIBTVKUWHW-OHUAYANFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (+/-)-1β-tert.-Butoxy-5,6,6,7a-tetrahydro-7aβ-methyl-5-oxo-4-indancarbonsaeuremethylester 以 水 为溶剂， 以25%的产率得到methyl (1S,3R,7aS)-3-hydroxy-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
  参考文献：
  名称：

  Biohydroxylations of hydrindenone derivatives

  摘要：

  Antipodal hydrindenones are hydroxylated at the position gamma to the alpha,beta-unsaturated ketone as efficiently in both series.

  DOI：

  10.1016/0040-4039(91)80837-v

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.