diethyl 2-([1,1'-biphenyl]-4-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate | 143867-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 2-([1,1'-biphenyl]-4-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
• 英文别名: 2,4-di(ethoxycarbonyl)-5-hydroxy-5-methyl-3-(4'-phenyl)phenylcyclohexanone；Diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylphenyl)cyclohexane-1,3-dicarboxylate
• CAS: 143867-42-9
• 化学式: C₂₅H₂₈O₆
• 分子量: 424.494
• InChiKey: IIRYUSLTRQWOOU-UHFFFAOYSA-N

物化性质

• 沸点：
  573.0±50.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 对苯基苯甲醛 在 Indion 860 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以85%的产率得到diethyl 2-([1,1'-biphenyl]-4-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
  参考文献：
  名称：

  Indion 860 catalyzed cascade reaction: a greener approach to functionalized cyclohexanones and their novel analogues

  摘要：

  通过 Indion 860 介导的β-酮酯或 1,3-二酮与烷基/芳基/杂芳基醛的级联反应，可在露天条件下生成官能化环己酮。催化剂可以回收和循环使用。将这一方法与同一锅中的其他反应相结合，可以得到多种多样的新型分子。一些合成的化合物在体外显示出对 PDE4 的抑制作用。

  DOI：

  10.1039/c2ra23039a

文献信息

• Piperidine derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0494717A1

  公开（公告）日：1992-07-15

  The invention provides piperidine derivatives of the general formula or an acid-addition salt thereof, in which R represents an optionally substituted alkyl, cycloalkyl, aryl or heterocyclyl group; R¹ represents an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclyl group; m represents an integer from 0 to 3; and each of R² and R³ is independently selected from a group consisting of hydrogen atoms, alkyl and phenyl groups; with the proviso that R does not represent a 4-tert-butylphenyl group; processes for their preparation; compositions containing such compounds and their use as fungicides.

  本发明提供通式如下的哌啶衍生物 或其酸加成盐，其中R代表任选取代的烷基、环烷基、芳基或杂环基；R¹代表任选取代的烷基、烯基、炔基、环烷基、芳基或杂环基；m代表0至3的整数；R²和R³各自独立地选自由氢原子、烷基和苯基组成的组；但R不代表4-叔丁基苯基；其制备工艺；含有此类化合物的组合物及其作为杀菌剂的用途。
• Catalysis by Amberlyst A-21: A Greener Approach to 4,5,6,7-Tetrahydro-1H-indazol-3(2<i>H</i>)-ones via Construction of Cyclohexanones
  作者：Manam Sreenivasa Rao、Meda Haritha、Sunder Kumar Kolli、Mandava V. Basaveswara Rao、Manojit Pal

  DOI：10.1080/00397911.2013.844260

  日期：2014.4.18

  The 4,5,6,7-tetrahydro-1H-indazol-3(2H)-one derivatives have been synthesized in good yields via a two-step method in a single pot. The initial step involved the construction of cyclohexanone ring from aromatic aldehydes and beta-ketoester in i-PrOH using an inexpensive and reusable catalyst (i.e., Amberlyst A-21) under mild reaction conditions. The utility of this catalyst has been demonstrated in synthesizing a range of cyclohexanone derivatives. The catalyst can be recovered and recycled, which makes this procedure simple, convenient, economically viable, and environmental friendly. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
• US5489599A
  申请人：——

  公开号：US5489599A

  公开（公告）日：1996-02-06
• [EN] PIPERIDINE DERIVATIVES
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：WO1992012130A1

  公开（公告）日：1992-07-23

  (EN) The invention provides piperidine derivatives of general formula (I) or an acid-addition salt thereof, in which R represents an optionally substituted alkyl, cycloalkyl, aryl or heterocyclyl group; R1 represents an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclyl group; m represents an integer from 0 to 3; and each of R2 and R3 is independently selected from a group consisting of hydrogen atoms, alkyl and phenyl groups; with the proviso that R does not represent a 4-tert-butylphenyl group; processes for their preparation; compositions containing such compounds and their use as fungicides.(FR) Dérivés de pipéridine répondant à la formule générale (I), ou un sel d'addition avec les acides de ceux-ci. Dans ladite formule, R représente un groupe alkyle, cycloalkyle, aryle, ou hétérocyclyle éventuellement substitué; R1 représente un groupe alkyle, alcényle, alcynyle, cycloalkyle, aryle ou hétérocyclyle éventuellement substitué; m représente un nombre entier compris entre 0 et 3; R2 et R3 sont sélectionnés, indépendamment l'un de l'autre, parmi un groupe constitué d'atomes d'hydrogène et de groupes alkyle et phényle; à condition que R ne représente pas un groupe 4-tert-butylphényle. On a également prévu des procédés de préparation, des compositions renfermant ces composés, et leur utilisation en tant que fongicides.