6-(羟基甲基)-3-甲氧基-6-甲基-2-环己烯-1-酮 | 252979-13-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-(羟基甲基)-3-甲氧基-6-甲基-2-环己烯-1-酮
• 英文名称: (+/-)-6-hydroxymethyl-3-methoxy-6-methyl-2-cyclohexenone
• 英文别名: 2-Cyclohexen-1-one, 6-(hydroxymethyl)-3-methoxy-6-methyl-；6-(hydroxymethyl)-3-methoxy-6-methylcyclohex-2-en-1-one
• CAS: 252979-13-8
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: RBRCRUXURJLQAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(羟基甲基)-3-甲氧基-6-甲基-2-环己烯-1-酮 在 甲醇 、 lipase AK 、 potassium carbonate 作用下， 以 苯 为溶剂， 反应 75.0h， 生成 (R)-6-hydroxymethyl-3-methoxy-6-methyl-2-cyclohexenone
  参考文献：
  名称：

  Synthesis of optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone

  摘要：

  Optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone and 6-acetoxymethyl-3-alkoxy-6-methyl-2-cyclohexenone were efficiently obtained by lipase-catalyzed kinetic resolution. (R)-6-Acetoxymethyl-3-(methoxymethoxy)-6-methyl-2-cyclohexenone was converted to the synthetic intermediate of cassiol. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00304-3
• 作为产物：
  描述：

  3-甲氧基-2-环己烯-1-酮 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 6-(羟基甲基)-3-甲氧基-6-甲基-2-环己烯-1-酮
  参考文献：
  名称：

  Synthesis of optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone

  摘要：

  Optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone and 6-acetoxymethyl-3-alkoxy-6-methyl-2-cyclohexenone were efficiently obtained by lipase-catalyzed kinetic resolution. (R)-6-Acetoxymethyl-3-(methoxymethoxy)-6-methyl-2-cyclohexenone was converted to the synthetic intermediate of cassiol. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00304-3

文献信息

• Synthesis of optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone
  作者：Hiroaki Miyaoka、Yasuhiro Kajiwara、Miho Hara、Akira Suma、Yasuji Yamada

  DOI：10.1016/s0957-4166(99)00304-3

  日期：1999.8

  Optically active 3-alkoxy-6-hydroxymethyl-6-methyl-2-cyclohexenone and 6-acetoxymethyl-3-alkoxy-6-methyl-2-cyclohexenone were efficiently obtained by lipase-catalyzed kinetic resolution. (R)-6-Acetoxymethyl-3-(methoxymethoxy)-6-methyl-2-cyclohexenone was converted to the synthetic intermediate of cassiol. (C) 1999 Elsevier Science Ltd. All rights reserved.