4,4-Dimethyl-6-methylen-2-cyclohexen-1-on | 81478-82-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4-Dimethyl-6-methylen-2-cyclohexen-1-on
• 英文别名: 4,4-dimethyl-6-methylenecyclohex-2-en-1-one；4,4-dimethyl-6-methylene-2-cyclohexen-1-one；Yoshixol；4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
• CAS: 81478-82-2
• 化学式: C₉H₁₂O
• 分子量: 136.194
• InChiKey: ZSEVBQPHUVQVFD-UHFFFAOYSA-N

物化性质

• 沸点：
  82-84 °C(Press: 10 Torr)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  4,4-Dimethyl-6-methylen-2-cyclohexen-1-on 在 lithium aluminium tetrahydride 、 titanium(III) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以67%的产率得到6,6'-Ethylenbis(4,4-dimethyl-2-cyclohexen-1-on)
  参考文献：
  名称：

  Janssen, Johann; Luettke, Wolfgang, Chemische Berichte, 1982, vol. 115, # 3, p. 1234 - 1243

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 5,5-Dimethyl-2-oxo-3-cyclohexen-1-glyoxylsaeure-ethylester 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到4,4-Dimethyl-6-methylen-2-cyclohexen-1-on
  参考文献：
  名称：

  Janssen, Johann; Luettke, Wolfgang, Chemische Berichte, 1982, vol. 115, # 3, p. 1234 - 1243

  摘要：

  DOI：
• 作为试剂：
  描述：

  二异丙胺 、 正丁基锂 、 、 锂 、 4,4-二甲基-2-环己基-1-酮 、 聚合甲醛 、 盐酸 在 乙醚 、 Sodium sulfate-III 、 4,4-Dimethyl-6-methylen-2-cyclohexen-1-on 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.0h， 以4,4-dimethyl- 6-hydroxymethyl- 2-cyclohexen-1-one was obtained (7.03 g)的产率得到4,4-Dimethyl-6-hydroxymethyl-2-cyclohexen-1-one
  参考文献：
  名称：

  Inhibitory or blocking agents of molecular generating and/or inducing functions

  摘要：

  一种通过使用式子1中的抑制剂或阻断剂来抑制或阻断分子生成和/或诱导功能的方法，其中R1-6和A的定义如本文所述。

  公开号：

  US20040224926A1

文献信息

• Light-Mediated Asymmetric Aliphatic C–H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid
  作者：Zhen-Yao Dai、Zhong-Sheng Nong、Pu-Sheng Wang

  DOI：10.1021/acscatal.0c00610

  日期：2020.4.17

  In the presence of tetrabutylammonium decatungstate and chiral spiro phosphoric acid, a light-mediated asymmetric C–H functionalization of unactivated hydrocarbons with exocyclic enones has been established. A wide range of cycloalkanes, benzylic, and allylic hydrocarbons are tolerated. This protocol proceeds via a hydrogen atom transfer/radical addition/hydrogen abstraction/enantioselective protonation

  在存在四丁基癸酸铵和手性螺磷酸的情况下，已建立了具有光环烯酮的未活化烃的光介导的不对称C–H官能化。可以耐受各种环烷烃，苄基和烯丙基烃。该方案通过氢原子转移/自由基加成/氢提取/对映选择性质子化中继过程进行。
• Catalytic Asymmetric Spirocyclizing Diels–Alder Reactions of Enones: Stereoselective Total and Formal Syntheses of α-Chamigrene, β-Chamigrene, Laurencenone C, Colletoic Acid, and Omphalic Acid
  作者：Santanu Ghosh、Johannes Eike Erchinger、Rajat Maji、Benjamin List

  DOI：10.1021/jacs.2c01971

  日期：2022.4.20

  We disclose a general catalytic enantioselective Diels–Alder reaction of exo-enones with dienes to give spirocyclanes. The obtained products feature highly congested quaternary stereogenic spirocenters and are used in concise total and formal syntheses of several sesquiterpenes, including of α-chamigrene, β-chamigrene, laurencenone C, colletoic acid, and omphalic acid. The stereo- and regioselectivities

  我们公开了外烯酮与二烯的一般催化对映选择性 Diels-Alder 反应生成螺环烷。获得的产品具有高度拥挤的四元立体螺中心，可用于几种倍半萜烯的简明全合成和正式合成，包括α-chamigrene、β-chamigrene、月桂烯酮 C、colletoic 酸和 omphalic 酸。我们的螺环化环加成反应的立体选择性和区域选择性受到强酸性和受限的亚氨基二亚磷酸酯催化剂的有效控制。计算研究揭示了反应性和选择性的起源。
• Inhibitory or blocking agents of molecular generating and/or/ inducing functions
  申请人：Koyama Shozo

  公开号：US20080200558A1

  公开（公告）日：2008-08-21

  A method for inhibiting or blocking molecular generating and/or inducing functions of molecules using an inhibitory or blocking agent of the formula: wherein R1-6 are as defined herein.

  一种抑制或阻断分子生成和/或诱导功能的方法，使用式子为：其中R1-6如本文所定义的抑制剂或阻断剂。
• DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE
  申请人：Koyama, Shozo

  公开号：EP0780122A1

  公开（公告）日：1997-06-25

  An agent for depressing and inhibiting the functions developed by the multidimensional structure (conformation) of a molecule through a nonenzymatic reaction. Examples thereof include a compound having a fundamental molecular structure represented by general formula (a), and other agents containing the compound, a derivative thereof or an acid-addition salt thereof as the active ingredient, such as antibacterial agent, antifungal agent, antiviral agent, germicide/disinfectant, anticancer drug, blood-clotting/fibrinolytic system depressant or inhibitor, antigen-antibody reaction depressant, organ-tissue preservative or antiseptic for food, etc., spermatocide or contraceptive for external use, thrombolytic agent, sugar-chain conformation modifier, arteriosclerosis preventive, improver for (lipid, sugar or protein) metabolism, wound healing agent, epithelialization accelerator, depressant of function development of bioactive substances (such as enzyme, peptide and gene), depolymerizer, surface activity improver, phase transfer agent or phase transfer improver, micro-phase separate structure improver, plasticizer or plasticity improver, copolymerizing agent or copolymerization improver, polymerization regulator or polymerization regulator/improver, stabilizer or stabilization improver, noncrystallizer or noncrystallizability improver, fluidity improver, flexibilizer or flexibilization improver, oxidation inhibitor antioxidant, modifier or improver of the fluorescence wavelength or excitation wavelength of dye, paint, pigment or colorant, improver of properties or functions of low-molecular-weight substance, improver of properties or functions of high-molecular-weight substance, and improver of properties of high-molecular-weight composite material or functional high-molecular-weight composite material.

  一种通过非酶促反应抑制和抑制由分子的多维结构（构象）形成的功能的制剂。例如，具有通式（a）所代表的基本分子结构的化合物，以及含有该化合物、其衍生物或其酸加成盐作为活性成分的其他制剂，如抗菌剂、抗真菌剂、抗病毒剂、杀菌剂/消毒剂、抗癌药、凝血/纤溶系统抑制剂或抑制剂、抗原-抗体反应抑制剂、器官组织防腐剂或食品防腐剂等、外用杀精剂或避孕药、溶栓剂、糖链构象调节剂、动脉硬化预防剂、（脂质、糖或蛋白质）新陈代谢改良剂、伤口愈合剂、上皮细胞加速剂、生物活性物质（如酶、肽和基因）功能开发抑制剂、解痉剂、抗原抗体反应抑制剂、器官组织防腐剂或食品防腐剂等、肽和基因）的功能开发抑制剂、解聚剂、表面活性改良剂、相转移剂或相转移改良剂、微相分离结构改良剂、增塑剂或可塑性改良剂、共聚剂或共聚改良剂、聚合调节剂或聚合调节剂/改良剂、稳定剂或稳定改良剂、非结晶剂或非结晶性改良剂、流动性改良剂、增挠剂或增挠改良剂、 氧化抑制剂、抗氧化剂、染料、涂料的荧光波长或激发波长的调节剂或改良剂、颜料或着色剂、改良剂、染料、涂料、颜料或着色剂、染料、涂料、颜料或着色剂的荧光波长或激发波长的调节剂或改良剂；低分子量物质的特性或功能改良剂；高分子量物质的特性或功能改良剂；以及高分子量复合材料或功能性高分子量复合材料的特性改良剂。
• ANTIGEN INDUCERS, VACCINE PRECURSORS, VACCINES, ANTIBODIES, NEUTRALIZING ANTIBODIES, ANTITOXINS, IDIOTYPIC ANTIBODIES, AND ANTI-IDIOTYPIC ANTIBODIES INDUCED BY THE IDIOTYPIC ANTIBODIES
  申请人：Koyama, Shozo

  公开号：EP1004299A1

  公开（公告）日：2000-05-31

  Antigen inducers producing vaccine precursors having high selectivity and specificity, vaccines, antibodies including idiotypic antibodies, neutralizing antibodies, and antitoxins. These inducers, which typically have the fundamental molecular structure represented by the general formula (3-a), induce the non-functional properties of complex high molecular-weight substances forming living organisms and nonliving matters into fundamental structural substances close to the expression of the functions as far as possible by regulating quantum thermodynamically and stoichiometrically expressed functions and morphogenesis of molecules to thereby produce vaccine precursors having high selectivity and specificity, vaccines, antibodies including idiotypic antibodies, neutralizing antibodies and antitoxins. Moreover, use is made of these substances in producing antibacterial agents, antiviral agents, neutralizing antibodies, antitoxins, anticancer agents, antiprotozoal agents against Plasmodium , Spirochaeta , etc., molecular discriminators, histocompatibility enhancers, immune response promoters or immune response regulators serving as labels for antibodies, tissues and organs, and complement chain reaction promoters.

  抗原诱导剂可产生具有高选择性和特异性的疫苗前体、疫苗、抗体（包括特异性抗体、中和抗体和抗毒素）。这些诱导剂通常具有通式（3-a）表示的基本分子结构，通过调节量子热力学和化学计量学上表达的功能以及分子的形态发生，将形成生物体和非生物的复杂高分子量物质的非功能特性诱导为尽可能接近功能表达的基本结构物质，从而生产出具有高选择性和特异性的疫苗前体、疫苗、抗体（包括特异性抗体）、中和抗体和抗毒素。此外，这些物质还可用于生产抗菌剂、抗病毒剂、中和抗体、抗毒素、抗癌剂、针对疟原虫、螺旋体等的抗原虫剂、分子鉴别剂、组织相容性增强剂、免疫反应促进剂或作为抗体、组织和器官标记的免疫反应调节剂以及补体连锁反应促进剂。