2-(3-甲基亚丁基)环戊烷-1-酮 | 40564-14-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(3-甲基亚丁基)环戊烷-1-酮
• 英文名称: 2-[3-methyl-butylidene]-cyclopentanone
• 英文别名: 2-(3-Methylbutylidene)cyclopentan-1-one
• CAS: 40564-14-5
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: SWDGUJRVKJUCNL-UHFFFAOYSA-N

物化性质

• 沸点：
  233.9±10.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• 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：

  2-(3-甲基亚丁基)环戊烷-1-酮 在 palladium on activated charcoal 氢气 作用下， 以 Petroleum ether 为溶剂， 生成 2-isopentylcyclopentanone
  参考文献：
  名称：

  Ijima,A.; Takahashi,K., Chemical and pharmaceutical bulletin, 1973, vol. 21, p. 215 - 219

  摘要：

  DOI：
• 作为产物：
  描述：

  环戊酮 、 异戊醛 在 四氢吡咯 作用下， 反应 0.13h， 以61%的产率得到2-(3-甲基亚丁基)环戊烷-1-酮
  参考文献：
  名称：

  超声介导可有效合成同环和杂环酮的单亚芳基衍生物。

  摘要：

  超声辐射直接从酮与各种醛在无溶剂条件下的反应中直接有效地用于高产率合成环状系统的单亚芳基衍生物。在催化量的吡咯烷存在下，反应迅速进行，而未观察到明显形成不希望的双副产物。而且，该方法适用于均和杂环酮。

  DOI：

  10.1016/j.ultsonch.2012.11.004

文献信息

• 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF
  申请人：Zhao Linxiang

  公开号：US20110060054A1

  公开（公告）日：2011-03-10

  The invention relates to 2-methylene-5-substituted-methylenecyclopentanone derivatives of formula I, and the use thereof. The derivatives of formula I as active components are useful for preparing a medicine for the treatment and/or prevention of cancer diseases such as breast cancer, lung cancer, colon cancer, rectal cancer, stomach cancer, prostate cancer, bladder cancer, uterus cancer, pancreatic cancer and ovary cancer. The active compounds of the invention may be used as an anticancer drug alone or used in combination with one or more other antitumor drugs. A combined therapy can be carried out by administrating each therapeutic component concurrently, subsequently or separately.

  本发明涉及2-亚甲基-5-取代-亚甲基环戊酮衍生物，其具有公式I的结构，以及这些衍生物的用途。公式I的衍生物作为活性成分，可用于制备治疗和/或预防诸如乳腺癌、肺癌、结肠癌、直肠癌、胃癌、前列腺癌、膀胱癌、子宫癌、胰腺癌和卵巢癌等癌症疾病的药物。本发明的活性化合物可以单独用作抗癌药物，或与一个或多个其他抗肿瘤药物联合使用。可以通过同时、随后或分别给药每个治疗成分来进行联合治疗。
• An Efficient Procedure for the Synthesis of α,β-Unsaturated Ketones and Its Application to Heterocyclic Systems
  作者：Mohammad Mojtahedi、M. Abaee、Mehdi Khakbaz、Tooba Alishiri、Maedeh Samianifard、A. Mesbah、Klaus Harms

  DOI：10.1055/s-0031-1289571

  日期：2011.12

  An efficient and room-temperature procedure is developed for high yield synthesis of novel α,β-unsaturated derivatives of thiopyran 3 directly from ketone 1 and various aldehydes in the presence of catalytic quantities of TMSNMe2 and MgBr2˙OEt2 under solvent-free conditions. The main advantage of the procedure is that the formation of the undesired bis by-products is minimized. In addition, the procedure

  一种有效的和室温过程，噻喃的β不饱和衍生物为新颖α的高收率合成开发3从酮直接1和各种醛在TMSNMe的催化量存在2和MgBr 2 OET 2下的无溶剂条件。该方法的主要优点是使不希望的双副产物的形成最小。另外，该方法适用于其他可烯化的碳环和非环酮。 α，β-不饱和酮-噻喃-4-酮-溴化镁醚化物-醛醇缩合
• [EN] NOVEL ORGANOLEPTIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ORGANOLEPTIQUES
  申请人：INT FLAVORS & FRAGRANCES INC

  公开号：WO2013109837A1

  公开（公告）日：2013-07-25

  The present invention relates to novel compounds and their use in an olfactory acceptable amount in perfume compositions as flavor and/or fragrance enhancing agents and to methods of improving, enhancing or modifying a fragrance formulation comprising adding to a consumer composition an olfactory acceptable amount of any one or more of the novel compounds.

  本发明涉及新化合物及其在香水组合物中作为调味和/或香料增香剂使用的相关内容，以及通过向消费者组合物添加任何一种或多种新化合物的嗅觉可接受量来改善、增强或修改香水配方的方法。
• Perfume systems
  申请人：The Procter & Gamble Company

  公开号：US09441185B2

  公开（公告）日：2016-09-13

  The present application relates to perfume delivery systems and consumer products comprising perfume delivery systems and or perfume raw materials, as well as processes for making and using such perfume delivery systems and consumer products.

  本申请涉及香水投放系统和包含香水投放系统和/或香水原料的消费者产品，以及制造和使用此类香水投放系统和消费者产品的过程。
• Process for producing 2-alkyl-2cyclopentenones
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20030109755A1

  公开（公告）日：2003-06-12

  Industrially advantageous processes for producing a 2-alkyl-2-cyclopentenone in high yields starting from a 2-(1-hydroxyalkyl)cyclopentanone or a 2-alkylidenecyclopentanone, which are obtainable from a cyclopentanone and a carbonyl compound. A 2-(1-hydroxyalkyl)cyclopentanone represented by the following general formula (1): 1 (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 each independently represents hydrogen atom, an alkyl group having 1 to 10 carbon atoms which may have one or more substituents or an aromatic group which may have one or more substituents, and each of (1) R 6 or R 7 with R 3 and (2) R 6 or R 7 with R 4 or R 5 may be together combined to form a ring which may have a double bond) is subjected to dehydrative isomerization in the presence of a bromine compound and/or an iodine compound.

  从环戊酮和羰基化合物获得的2-(1-羟基烷基)环戊酮或2-烷基亚烯环戊酮，是从高产率开始生产2-烷基-2-环戊酮的工业上有利的过程。在以下一般式（1）中表示的2-(1-羟基烷基)环戊酮中（其中R1、R2、R3、R4、R5、R6和R7分别独立地表示氢原子、具有1至10个碳原子的烷基基团，可能具有一个或多个取代基或可能具有一个或多个取代基的芳香基团，且(1) R6或R7与R3和(2) R6或R7与R4或R5中的每一个可能结合在一起形成可能具有双键的环)在溴化合物和/或碘化合物的存在下进行脱水异构化。