1-hydroxy-2-isopropyl-5-methyl-cyclohexanecarbonitrile | 100400-22-4

• 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: 1-hydroxy-2-isopropyl-5-methyl-cyclohexanecarbonitrile
• 英文别名: Menthoncyanhydrin；3-Cyan-p-menthanol-(3)；1-Hydroxy-2-isopropyl-5-methyl-cyclohexancarbonitril；1-Hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
• CAS: 100400-22-4
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: ZYUJMAOJFWVJHG-UHFFFAOYSA-N

物化性质

• 沸点：
  295.8±23.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-hydroxy-2-isopropyl-5-methyl-cyclohexanecarbonitrile 、 furan-2,3,5(4H)-trione pyridine (1:1) 生成 氰化钠 、 5-甲基-2-异丙基环己酮
  参考文献：
  名称：

  Development of a depression scale for veterans and war widows

  摘要：

  We developed and evaluated a brief measure of depression for use within a population of older Australian war veterans and war widows. Derived from the Geriatric Depression Scale (GDS), the 12-item GDS-Veterans is designed to include items that most closely represent the thoughts and feelings of older veterans in relation to their war experiences. The scale was administered to 1,620 veterans and widows concurrent with the 36-item Medical Outcomes Study Short Form (MOS SF-36) quality of life measure. Of those surveyed, 13.5% indicated that they often or always worry about things that happened during the war, indicating that this item tapped an important dimension for many of the veteran population. Scores on the GDS-Veterans were strongly correlated with the Mental Health subscale (-.72) and the Mental Health Component Summary Score (-.68) of the MOS SF-36 quality of life measure.

  DOI：

  10.1207/s15327558ijbm0703_05
• 作为产物：
  描述：

  trimethylsilanyloxy-menthone-cyanohydrin 在 氢氟酸 作用下， 以 甲醇 为溶剂， 生成 1-hydroxy-2-isopropyl-5-methyl-cyclohexanecarbonitrile
  参考文献：
  名称：

  由酮合成三烷基甲硅烷基保护的氰醇的稳健而有效的，但未催化的

  摘要：

  在DMSO中，用NaCN和各种氯三烷基硅烷对酮进行高产率的氰基甲硅烷基化反应可顺利进行，而无需催化，即可得到甲硅烷基保护的酮氰醇。DMSO的独特作用在于提供裸氰化物阴离子，该阴离子在速率确定步骤可逆地添加到C O键中，然后用氯代三烷基硅烷或原位生成的氰基三烷基硅烷快速捕获瞬态叔氰醇钠。制备上，该反应与应用昂贵的Me 3 SiCN的最著名的催化氰基硅烷化反应体系相匹配，并证明了在空间上被三烷基甲硅烷基保护的氰醇的合成中空前的效率。

  DOI：

  10.1021/jo702587e

文献信息

• Lapworth; Manske, Journal of the Chemical Society, 1928, p. 2546
  作者：Lapworth、Manske

  DOI：——

  日期：——