3-Methyl-butyric acid (R)-1-[(2S,4S,6S,8S)-4,10-dimethyl-8-(3-methyl-butyryloxymethyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-2-methyl-propyl ester | 302355-72-2

• 分子结构分类: 有机化合物
• 英文名称: 3-Methyl-butyric acid (R)-1-[(2S,4S,6S,8S)-4,10-dimethyl-8-(3-methyl-butyryloxymethyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-2-methyl-propyl ester
• CAS: 302355-72-2
• 化学式: C₂₆H₄₆O₆
• 分子量: 454.648
• InChiKey: MALRYFOKQJVLFG-MZEBJJNYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.52
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-Methyl-butyric acid (R)-1-[(2S,4S,6S,8S)-4,10-dimethyl-8-(3-methyl-butyryloxymethyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-2-methyl-propyl ester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以90%的产率得到3-Methyl-butyric acid (R)-1-((2S,4S,6S,8S)-8-hydroxymethyl-4,10-dimethyl-1,7-dioxa-spiro[5.5]undec-2-yl)-2-methyl-propyl ester
  参考文献：
  名称：

  Oxidative demercuration revisited

  摘要：

  A procedure for oxidative demercuration utilising O-2-TEMPO-NaBH4-DMF (0 degrees) is shown to be convenient and efficient for a variety of organomercury(II)halide systems, including spiroacetal structures acquired by intramolecular hydroxy-mercuration, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01001-7
• 作为产物：
  描述：

  (R)-1-[(2S,4S,6S,8S)-4,10-Dimethyl-8-(2,2,6,6-tetramethyl-piperidin-1-yloxymethyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-2-methyl-propan-1-ol 在 吡啶 、 锌 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 3-Methyl-butyric acid (R)-1-[(2S,4S,6S,8S)-4,10-dimethyl-8-(3-methyl-butyryloxymethyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-2-methyl-propyl ester
  参考文献：
  名称：

  Oxidative demercuration revisited

  摘要：

  A procedure for oxidative demercuration utilising O-2-TEMPO-NaBH4-DMF (0 degrees) is shown to be convenient and efficient for a variety of organomercury(II)halide systems, including spiroacetal structures acquired by intramolecular hydroxy-mercuration, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01001-7