5,5,6-三甲基双环[2.2.1]庚烷-2-酮 | 3292-05-5

• 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: 5,5,6-三甲基双环[2.2.1]庚烷-2-酮
• 英文名称: isocamphanone
• 英文别名: 5,5,6-trimethylbicyclo[2.2.1]heptan-2-one
• CAS: 3292-05-5
• 化学式: C₁₀H₁₆O
• mdl: MFCD03789588
• 分子量: 152.236
• InChiKey: TZAXGXBLCOILBQ-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110 °C
• 沸点：
  95 °C
• 密度：
  0.950±0.06 g/cm3(Predicted)
• 保留指数：
  1165

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914299000

反应信息

• 作为反应物：
  描述：

  5,5,6-三甲基双环[2.2.1]庚烷-2-酮 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 为溶剂， 反应 20.0h， 生成 N-ethyl-1,7,7-trimethyl-6-endo-phenylbicyclo<2.2.1>hept-2-yl-exo-amine hydrochloride
  参考文献：
  名称：

  Kozlov, N. G.; Popova, L. A.; Makhnach, S. A., Journal of general chemistry of the USSR, 1990, vol. 60, # 1.2, p. 174 - 177

  摘要：

  DOI：
• 作为产物：
  描述：

  isocamphanol 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 5,5,6-三甲基双环[2.2.1]庚烷-2-酮
  参考文献：
  名称：

  Lipp, Chemische Berichte, 1947, vol. 80, p. 165,170

  摘要：

  DOI：

文献信息

• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Ding Hong

  公开号：US20110237553A1

  公开（公告）日：2011-09-29

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  揭示了抑制抗凋亡Bcl-2蛋白活性的化合物，包含这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-2蛋白的疾病的方法。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150315146A1

  公开（公告）日：2015-11-05

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)bicycloalkanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  该发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)双环戊醇或其盐，其中一般式(I)中的基团对应于描述中给定的定义，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases
  申请人：Abbvie Inc.

  公开号：EP2757105A1

  公开（公告）日：2014-07-23

  This invention pertains to compounds, or therapeutically acceptable salts thereof, which inhibit the activity of Bcl-2 anti-apoptotic proteins, pharmaceutical compositions containing the compounds, and compounds and compositions for use in treating diseases during which anti-apoptotic Bcl-2 proteins are expressed.

  本发明涉及抑制 Bcl-2 抗凋亡蛋白活性的化合物或其治疗上可接受的盐类、含有这些化合物的药物组合物，以及用于治疗表达抗凋亡 Bcl-2 蛋白的疾病的化合物和组合物。
• ——
  作者：E. A. Dikusar、N. G. Kozlov、L. A. Popova、K. L. Moiseichuk、A. P. Yuvchenko

  DOI：10.1023/a:1025648821889

  日期：——

  A series of peroxy-containing tertiary alcohols were prepared by the reactions of lithium peroxy acetylenides with gamma-amino ketones. The reactions of the intermediate lithium peroxy alcoholates with alkyl iodides in the presence of hexamethylphosphoramide yielded the corresponding peroxy ethers. The thermal stability of the compounds synthesized was evaluated by thermal analysis.
• ——
  作者：E. A. Dikusar、N. G. Kozlov、K. L. Moiseichuk

  DOI：10.1023/a:1015549229781

  日期：——

  By treating 1-octyne and phenylacetylene with butyllithium the corresponding lithium acetylides were obtained that, with camphor and isocamphanone, provided along streospecific process 2-exo-(1-octynyl or 2-phenyl-1-ethynyl)-2-endo-lithiumoxy-5,5,6-trimethylbicyclo[2.2.1]heptane and 2-endo-(1-octynyl or 2-phenyl-l-ethynyl)-2-exo-lithiumoxy-1,7,7-trimethylbicyclo[2.2.1]heptane. The hydrolysis of these lithium alcoholates occurred selectively and resulted in individual tertiary terpene alcohols containing exo-acetylene substituent in the case of camphor, endo-acetylene fragment in the case of isocamphanone. The alcohols reacted with methyl, ethyl, or butyl iodides in the presence of hexamethylphosphoramide to afford ethers, and with benzoyl chloride to furnish disubstituted esters of benzoic acid.