4,7,7-三甲基二环[4.1.0]庚-3-烯-5-酮 | 107493-44-7

• 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
• 中文名称: 4,7,7-三甲基二环[4.1.0]庚-3-烯-5-酮
• 英文名称: car-3-en-2-one
• 英文别名: 3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one
• CAS: 107493-44-7
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: SAFIHMIEMQFPDA-UHFFFAOYSA-N

物化性质

• 保留指数：
  1254.3;1300

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,7,7-三甲基二环[4.1.0]庚-3-烯-5-酮 、 叔丁基过氧化氢 以22%的产率得到
  参考文献：
  名称：

  CHIDAMBARAM, NALLAPERUMAL;CHANDRASEKARAN, SRINIVASAN, J. ORG. CHEM., 52,(1987) N 22, 5048-5051

  摘要：

  DOI：
• 作为产物：
  描述：

  2-蒈烯 在 叔丁基过氧化氢 、 重铬酸吡啶 作用下， 以 苯 为溶剂， 反应 9.0h， 以6.4%的产率得到4,7,7-三甲基二环[4.1.0]庚-3-烯-5-酮
  参考文献：
  名称：

  Tert-Butyl hydroperoxide-pyridinium dichromate: a convenient reagent system for allylic and benzylic oxidations

  摘要：

  DOI：

  10.1021/jo00231a046

文献信息

• 一种由3-蒈烯制备3-异丙基-5-甲酚和香芹酚 的方法
  申请人：中国林业科学研究院林产化学工业研究所

  公开号：CN109232193B

  公开（公告）日：2021-09-17

  本发明公开了一种由3‑蒈烯制备3‑异丙基‑5‑甲酚和香芹酚的方法。3‑蒈烯在CrO3‑Al2O3催化下，与氧气于室温下反应生成产物Ⅰ：主要组分包括5‑蒈酮、2‑蒈酮和4‑蒈酮，3种酮类产物选择性比约为10.8:3.5:1.0；产物Ⅰ经蒸馏回收3‑蒈烯，回收率大于80%，回收纯度大于94%；剩余组分在13X型分子筛催化下于230℃转化为产物Ⅱ：主要组分包括3‑异丙基‑5‑甲酚和香芹酚，原料转化率100%，酚类产物总选择性可达98%，2种酚类产物选择性比约为2.2:1.0，减压蒸馏产物Ⅱ得到一种纯度大于96%的混合酚产品；产物Ⅱ作柱层析分离，分别得到纯度大于97%的3‑异丙基‑5‑甲酚和香芹酚。
• Products of the catalytic liquid-phase oxidation of 3-carene
  作者：O. G. Vyglazov、�. N. Manukov、M. N. Fedorishcheva、N. G. Ariko、V. A. Chuiko、G. N. Bazhina

  DOI：10.1007/bf00630310

  日期：——

  The liquid-phase oxidation of 3-carene in the presence of various catalytic systems has been studied. The possibility has been shown of the directed preparation of 3-carene oxide, of ketones with a carane skeleton and a 7-membered ring, or of aromatic tertiary alcohols.

  已经研究了在各种催化体系存在下 3-carene 的液相氧化。已经显示了直接制备 3-carene 氧化物、具有 carane 骨架和 7 元环的酮或芳香族叔醇的可能性。
• Cobalt- and manganese-substituted ferrites as efficient single-site heterogeneous catalysts for aerobic oxidation of monoterpenic alkenes under solvent-free conditions
  作者：L MENINI、M PEREIRA、L PARREIRA、J FABRIS、E GUSEVSKAYA

  DOI：10.1016/j.jcat.2008.01.013

  日期：2008.3.10

  Cobalt- and manganese-substituted ferrites were used as heterogeneous catalysts for liquid-phase aerobic oxidation of various monoterpenic alkenes. The materials were prepared by co-precipitation and characterized by Mossbauer spectroscopy, powder X-ray diffractometry, magnetization measurements, and elemental analysis. The results show that isomorphic substitution of iron in the ferrite crystalline structure occurred preferentially at octahedral positions and strongly affected its catalytic properties in the oxidation of monoterpenes. Various valuable oxygenated monoterpenic compounds were obtained with high combined selectivities (75-95%) at ca. 40% substrate conversions. Oxidations of beta-pinene and 3-carene led almost exclusively to allylic mono-oxygenated derivatives, whereas limonene and alpha-pinene gave both epoxides and allylic products. The use of inexpensive catalyst and oxidant, solvent-free conditions, and high final product concentrations (ca. 40 wt%) are significant practical advantages of this environmentally friendly process. The catalysts undergo no metal leaching and can be easily recovered by the application of an external magnet and reused. (C) 2008 Elsevier Inc. All rights reserved.
• METHODS AND COMPOSITIONS FOR ENHANCING HEALTH
  申请人：Ojai Energetics PBC

  公开号：EP3600271A1

  公开（公告）日：2020-02-05
• US3952062A
  申请人：——

  公开号：US3952062A

  公开（公告）日：1976-04-20

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