(2R,5R)-(-)-2-chloro-2-methyl-5-isopropylcyclohexanone | 51373-17-2

• 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: (2R,5R)-(-)-2-chloro-2-methyl-5-isopropylcyclohexanone
• 英文别名: (2R,5R)-2-chloro-2-methyl-5-propan-2-ylcyclohexan-1-one
• CAS: 51373-17-2
• 化学式: C₁₀H₁₇ClO
• 分子量: 188.697
• InChiKey: DPWUAQDYMOGSIT-PSASIEDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (R)-二氢香芹酮 在 palladium on activated charcoal 磺酰氯 、 氢气 作用下， 以 四氯化碳 为溶剂， 反应 7.0h， 生成 (2R,5R)-(-)-2-chloro-2-methyl-5-isopropylcyclohexanone
  参考文献：
  名称：

  2-Chloro and 2-fluoro ketones derived from the chiral-pool

  摘要：

  Both (2R,5R)- and (2S,SR)-isomers of 2-chloro-2-isopropyl-5-methyl-, 2-chloro-2-methyl-5-isopropyl- and 2-fluoro-2-methyl-5-isopropylcyclohexanones have been synthesized and fully characterized. It is shown that a rapid overview of the H-1 NMR spectrum allows an unambiguous assignment of the axial or equatorial position of the halogen atom and that the IR VCO absorption does not differ from one isomer to the other. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(00)00013-6
• 作为试剂：
  描述：

  反式-1,2-二苯乙烯 在 Oxone 、 (2R,5R)-(-)-2-chloro-2-methyl-5-isopropylcyclohexanone 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 Stilbene oxide 、 (S,S)-trans-stilbene oxide
  参考文献：
  名称：

  Significant Effects of Nonconjugated Remote Substituents in Catalytic Asymmetric Epoxidation

  摘要：

  DOI：

  10.1021/ja980435a

文献信息

• 2-Chloro and 2-fluoro ketones derived from the chiral-pool
  作者：Arlette Solladié-Cavallo、Laëtitia Bouérat

  DOI：10.1016/s0957-4166(00)00013-6

  日期：2000.3

  Both (2R,5R)- and (2S,SR)-isomers of 2-chloro-2-isopropyl-5-methyl-, 2-chloro-2-methyl-5-isopropyl- and 2-fluoro-2-methyl-5-isopropylcyclohexanones have been synthesized and fully characterized. It is shown that a rapid overview of the H-1 NMR spectrum allows an unambiguous assignment of the axial or equatorial position of the halogen atom and that the IR VCO absorption does not differ from one isomer to the other. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.