2-(2-oxo-cyclopentyl)methyl cyclohexanone | 56717-23-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-oxo-cyclopentyl)methyl cyclohexanone
• 英文别名: 2-<(2-Oxocyclopentyl)methyl>cyclohexanone；(2-oxocyclohexyl)(2-oxocyclopentyl)methane；2-(2-cyclohexanonylmethyl)cyclopentanone；2-(2-oxo-cyclopentylmethyl)-cyclohexanone；2-(2-Oxo-cyclopentylmethyl)-cyclohexanon；2-(2'-Oxocyclopentyl)methyl cyclohexanone；Cyclohexanone, 2-[(2-oxocyclopentyl)methyl]-；2-[(2-oxocyclopentyl)methyl]cyclohexan-1-one
• CAS: 56717-23-8
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: WKMWOZWUSDCRTH-UHFFFAOYSA-N

物化性质

• 沸点：
  180-182 °C(Press: 21 Torr)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-oxo-cyclopentyl)methyl cyclohexanone 反应 4320.0h， 以5%的产率得到2-hydroxytricyclo<7.2.1.0^2,7>dodecane-12-one
  参考文献：
  名称：

  Akimova, T. I.; Kosenko, S. V.; Tilichenko, M. N., Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 12, p. 2271 - 2277

  摘要：

  DOI：
• 作为产物：
  描述：

  2-二甲氨基甲基环己酮 、 环戊酮 生成 2-(2-oxo-cyclopentyl)methyl cyclohexanone
  参考文献：
  名称：

  β-Acylethylation with Ketonic Mannich Bases. The Synthesis of Some Diketones, Ketonic Sulfides, Nitroketones and Pyridines

  摘要：

  DOI：

  10.1021/ja01139a055

文献信息

• Silicon derivatives of tetrahydroquinolines
  申请人：John Wyeth & Brother Ltd.

  公开号：US04085108A1

  公开（公告）日：1978-04-18

  The invention relates to novel silicon derivatives of tetrahydroquinolines, which are intermediates in a process for preparing 5,6,7,8-tetrahydroquinoline-8-carboxamides and thiocarboxamides.

  这项发明涉及新型四氢喹啉的硅衍生物，它们是制备5,6,7,8-四氢喹啉-8-羧酰胺和硫代羧酰胺的过程中的中间体。
• Methods of synthesis of alicyclic 1,5,9-triketones. Reaction of transaminomethylation
  作者：T. I. Akimova、O. A. Soldatkina、Zh. A. Ivanenko、V. G. Savchenko

  DOI：10.1134/s1070428017050128

  日期：2017.5

  Alicyclic 1,5,9-triketones with various combination of 5-, 6-, 7-membereded cycles in the molecule were obtained by methods of diketone condensation, Michael reaction, and proceeding from Mannich mono- and bisbases and cycloalkanones. The latter method was accompanied with a transaminomethylation, observed for the first time at triketones preparation. The structures of cyclic forms of Michael reaction

  通过二酮缩合，迈克尔反应，并从曼尼希单碱基和双碱基以及环烷酮开始，获得分子中具有5、6、7元环的各种组合的脂环族1,5,9-三酮。后一种方法伴随有转氨甲基化，这是在三酮制备中首次观察到的。改进了迈克尔反应产物的环状形式的结构。
• New Tetracyclic Spiro-1,2,4-trioxolanes (Ozonides). Synthesis and Mass Spectrometric Study
  作者：T. I. Akimova、V. G. Rybin、O. A. Soldatkina

  DOI：10.1134/s1070428019010123

  日期：2019.1

  New tetracyclic dispiro-1,2,4-trioxolanes (ozonides) were synthesized by reactions of 5–7-membered alicyclic 1,5-diketones with 30% hydrogen peroxide in diethyl ether or ethanol in the presence of boron trifluoride-diethyl ether complex or a strong mineral acid (HCl, H2SO4, HClO4). Mass spectrometric study of the title compounds under atmospheric pressure chemical ionization revealed specificity of

  在三氟化硼-乙醚复合物存在下，通过5-7元脂环族1,5-二酮与30％过氧化氢在乙醚或乙醇中的反应，合成了新的四环二螺1,2,4-三氧杂环戊烷（臭氧化物）或强无机酸（HCl，H 2 SO 4，HClO 4）。标题化合物在大气压化学电离下的质谱研究表明，碎片离子分解相对于环的大小具有特异性，这使得可以通过质谱鉴定这类化合物。
• 8-Carboxylester, and 8-carbamyl derivitives of
  申请人：John Wyeth & Brother Limited

  公开号：US04009169A1

  公开（公告）日：1977-02-22

  The invention relates to novel 5,6,7,8-tetrahydroquinoline derivatives which have a group X situated at the 8-position said group X is CONHR.sup.3, or CO.sub.2 R.sup.5 wherein R.sup.3 is hydrogen lower alkyl and R.sup.5 is hydrogen, lower alkyl or a lower aralkyl radical. The compounds are intermediates for corresponding compounds where X is CSNHR.sup.3 and these are anti-ulcer agents.

  本发明涉及一种新型的5,6,7,8-四氢喹啉衍生物，其在8位具有X基团，所述的X基团为CONHR3或CO2R5，其中R3为氢、低碳基，R5为氢、低碳基或低芳基烷基。这些化合物是相应的X为CSNHR3的化合物的中间体，这些化合物是抗溃疡剂。
• 8-Cyano-5,6,7,8-tetrahydroquinoline derivatives
  申请人：John Wyeth & Brother Limited

  公开号：US04011225A1

  公开（公告）日：1977-03-08

  The invention relates to novel 8-cyano-5,6,7,8-tetrahydroquinoline derivatives which are intermediates for the preparation of corresponding 8-thioamides. Some of the 8-cyano compounds are anti-ulcer agents.

  本发明涉及一种新型的8-氰基-5,6,7,8-四氢喹啉衍生物，它们是制备相应的8-硫酰胺的中间体。其中一些8-氰基化合物是抗溃疡剂。