2-[(1R)-3,4-dihydroxy-4-methylcyclohexyl]propan-2-yl acetate | 223674-17-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[(1R)-3,4-dihydroxy-4-methylcyclohexyl]propan-2-yl acetate
• CAS: 223674-17-7
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: PQFICFQXOLQQMH-GRZMOONWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(1R)-3,4-dihydroxy-4-methylcyclohexyl]propan-2-yl acetate 在 lead(IV) acetate 、 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 3-(1-acetoxy-l-methylethyl)-6-oxo-heptanal
  参考文献：
  名称：

  Facile synthesis of the cyclopentane moiety of (all-E,2R,5R,6S)-2,6-cyclolycopene-1,5-diol

  摘要：

  The carotenoid (2R,5R,6S)-2,6-cyclolycopene-1,5-diol (1) bears a tetrasubstituted cyclopentane ring with three neighbouring stereogenic centers. The cyclic aldehyde 2 with the correct substitution pattern was synthesized in four steps from (R)-alpha-terpineol (3). From 2 the carotenoid 1 was prepared and investigated by CD spectroscopy. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01268-5
• 作为产物：
  描述：

  (4R)-(+)-α-terpinyl acetate 在 potassium permanganate 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 2-[(1R)-3,4-dihydroxy-4-methylcyclohexyl]propan-2-yl acetate
  参考文献：
  名称：

  Facile synthesis of the cyclopentane moiety of (all-E,2R,5R,6S)-2,6-cyclolycopene-1,5-diol

  摘要：

  The carotenoid (2R,5R,6S)-2,6-cyclolycopene-1,5-diol (1) bears a tetrasubstituted cyclopentane ring with three neighbouring stereogenic centers. The cyclic aldehyde 2 with the correct substitution pattern was synthesized in four steps from (R)-alpha-terpineol (3). From 2 the carotenoid 1 was prepared and investigated by CD spectroscopy. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01268-5