1-Acetyl-2-methylcyclohexane | 64811-81-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Acetyl-2-methylcyclohexane
• 英文别名: 1-Acetyl-2-methyl-cyclohexan；1-(2-methylcyclohexyl)ethanone
• CAS: 64811-81-0
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: VZELQXKHIHNPLU-UHFFFAOYSA-N

物化性质

• 沸点：
  82-84 °C(Press: 15 Torr)
• 密度：
  0.889±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  1-Acetyl-2-methylcyclohexane 在 盐酸 、 磺酰氯 作用下， 生成 1-Methyl-2t-chloracetyl-cyclohexan
  参考文献：
  名称：

  The Stereochemistry of the Favorski[UNK]i Rearrangement

  摘要：

  DOI：

  10.1021/ja01480a011
• 作为产物：
  描述：

  3-甲基-1-环己烯 在 钯 氢气 、 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 生成 1-Acetyl-2-methylcyclohexane
  参考文献：
  名称：

  脂肪族Friedel-Crafts反应。第六部分 取代环己酮的乙酰化制备βγ-不饱和酮

  摘要：

  1-烷基环己烯与氯化锌-乙酸酐的反应可产生高产率的6-乙酰基-1-烷基环己烯，以及少量的异构体1-乙酰基-2-亚烷基环己烷。未修饰的酮的氢化容易得到1-乙酰基-2-烷基环己烷。

  DOI：

  10.1039/j39680002215

文献信息

• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：SENOMYX, INC.

  公开号：US20150376136A1

  公开（公告）日：2015-12-31

  The present invention includes compounds useful as modulators of TRPM8, such as compounds of Formulae (Ia), (Ib) and (Ic), and the subgenus and species thereof; personal products containing those compounds; and the use of those compounds and the personal products, particularly the use of increasing or inducing chemesthetic sensations, such as cooling or cold sensations.

  本发明包括作为TRPM8调节剂有用的化合物，例如式(Ia)、(Ib)和(Ic)的化合物，以及其亚属和种类；含有这些化合物的个人产品；以及利用这些化合物和个人产品，特别是利用增加或诱导化学感觉，如凉爽或冷感觉。
• STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS
  申请人：The University of Chicago

  公开号：US20210053042A1

  公开（公告）日：2021-02-25

  Lewis acidic metal-organic framework (MOF) materials comprising triflate-coordinated metal nodes are described. The materials can be used as heterogenous catalysts in a wide range of organic group transformations, including Diels-Alder reactions, epoxide-ring opening reactions, Friedel-Crafts acylation reactions and alkene hydroalkoxylation reactions. The MOFs can also be prepared with metallated organic bridging ligands to provide heterogenous catalysts for tandem reactions and/or prepared as composites with support particles for use in columns of continuous flow reactor systems. Methods of preparing and using the MOF materials and their composites are also described.

  描述了包含三氟甲磺酸盐配位金属节点的Lewis酸性金属有机框架（MOF）材料。这些材料可用作广泛范围的有机基团转化中的杂质催化剂，包括Diels-Alder反应、环氧化物开环反应、Friedel-Crafts酰化反应和烯烃水解烷氧基化反应。这些MOF还可以通过金属化有机桥联配体制备，以提供串联反应的杂质催化剂和/或与支撑颗粒制备为复合材料，用于连续流反应器系统的柱中。还描述了制备和使用MOF材料及其复合材料的方法。
• [EN] PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES<br/>[FR] DÉRIVÉS PYRAZOLO-TRIAZINE PHARMACEUTIQUEMENT ACTIFS
  申请人：LEAD DISCOVERY CENTER GMBH

  公开号：WO2013128029A1

  公开（公告）日：2013-09-06

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑咯[1,5-a][1,3,5]三唑衍生物和/或其药用可接受盐，这些衍生物的用途作为药用活性剂，特别用于预防和/或治疗传染病，包括机会性感染病、免疫性疾病、自身免疫性疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑咯[1,5-a][1,3,5]三唑衍生物和/或其药用可接受盐的药物组合物。此外，本发明涉及所述吡唑咯[1,5-a][1,3,5]三唑衍生物作为蛋白激酶抑制剂的用途。
• Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhibitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2634189A1

  公开（公告）日：2013-09-04

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用盐，这些衍生物作为药用活性剂的应用，特别是用于预防和/或治疗传染病，包括机会性感染病、免疫性疾病、自身免疫疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用盐的药物组合物。此外，本发明涉及所述吡唑并[1,5-a][1,3,5]三嗪衍生物作为蛋白激酶抑制剂的应用。
• Tuning the Selectivity in the Hydrogenation of Aromatic Ketones Catalyzed by Similar Ruthenium and Rhodium Nanoparticles
  作者：Jessica Llop Castelbou、Emma Bresó-Femenia、Pascal Blondeau、Bruno Chaudret、Sergio Castillón、Carmen Claver、Cyril Godard

  DOI：10.1002/cctc.201402524

  日期：2014.11

  Ru and Rh nanoparticles (NPs) RuI, RuII, RhI and RhII, stabilised by triphenylphosphine (PPh3) and diphenylphosphinobutane (dppb) were synthesised, characterised and applied as catalysts in the hydrogenation of several aromatic ketones. The effects of the nature of the metal and of the stabilising agent on the aryl versus ketone hydrogenation were studied. For Rh NPs, the coordination of arene dominates

  三苯基膦（PPh 3）稳定的Ru和Rh纳米颗粒（NPs）RuI，RuII，RhI和RhII）和二苯基膦基丁烷（dppb）的合成，表征和用作几种芳族酮加氢的催化剂。研究了金属和稳定剂的性质对芳基和酮加氢的影响。对于Rh NP，芳烃的配位控制了底物与NP的相互作用，而酮基的配位没有得到证实。然而，对于Ru NP，结果表明，芳烃和酮都以竞争性方式与NPs配位。稳定配体的性质对反应的结果有明显的影响，并且对于Rh催化的反应，只有在PPh 3时才形成氢解产物被用作稳定剂。底物的结构也是选择性的关键因素。