diethyl 2-(2-cyclohexylethyl)malonate | 250721-90-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl 2-(2-cyclohexylethyl)malonate
• 英文别名: Carboaethoxy-2-cyclohexyl-4-buttersaeure-aethylester；<2-Cyclohexyl-aethyl>-malonsaeure-diaethylester；(2-cyclohexyl-ethyl)-malonic acid diethyl ester；(2-Cyclohexyl-aethyl)-malonsaeure-diaethylester；Diethyl 2-(2-cyclohexylethyl)propanedioate
• CAS: 250721-90-5
• 化学式: C₁₅H₂₆O₄
• 分子量: 270.369
• InChiKey: UVFUEFUBDJPQQO-UHFFFAOYSA-N

物化性质

• 沸点：
  330.8±15.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 2-(2-cyclohexylethyl)malonate 在 1,3-二碘-5,5-二甲基海因 、 lithium hydroxide monohydrate 、 水 、 sodium hydride 、 Selectfluor 、 lithium chloride 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 33.0h， 生成
  参考文献：
  名称：

  苯并恶唑与1-氟-1-卤代烷烃的直接铜催化C-H单氟烷基化

  摘要：

  铜催化的交叉偶联反应使苯并恶唑首次与1-氟-1-卤代烷烃进行直接C–H单氟烷基化反应，后者带有β-氢且在反应中心附近没有任何导向基团。

  DOI：

  10.1002/ejoc.201901929
• 作为产物：
  描述：

  乙烯基环己烷 、 丙二酸二乙酯 在 过氧化苯甲酰 作用下， 生成 diethyl 2-(2-cyclohexylethyl)malonate
  参考文献：
  名称：

  Francois,H. et al., Bulletin de la Societe Chimique de France, 1970, # 2, p. 617 - 624

  摘要：

  DOI：

文献信息

• Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism
  申请人：Dompé S.P.A.

  公开号：EP0792878A2

  公开（公告）日：1997-09-03

  Compounds of formula I: wherein Ra, Rb, Φ, B and R are as defined in the disclosure, have antagonistic activity on osteoclast hyper-reactivity.

  式 I.化合物 其中，Ra、Rb、Φ、B 和 R 如所公开的定义，对破骨细胞高反应性具有拮抗活性。
• METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER
  申请人：Toho Titanium CO., LTD.

  公开号：EP2876118A1

  公开（公告）日：2015-05-27

  A method for producing a solid catalyst component for olefin polymerization produces a novel solid catalyst component for olefin polymerization that achieves excellent olefin polymerization activity and activity with respect to hydrogen during polymerization, and can produce an olefin polymer that exhibits a high MFR, high stereoregularity, and excellent rigidity. The method includes a first step that brings a magnesium compound, a tetravalent titanium halide compound, and one or more first internal electron donor compounds selected from specific aromatic dicarboxylic diesters into contact with each other to effect a reaction, followed by washing, a second step that brings a tetravalent titanium halide compound and one or more second internal electron donor compounds into contact with a product obtained by the first step to effect a reaction, followed by washing, and a third step that brings one or more third internal electron donor compounds into contact with a product obtained by the second step to effect a reaction.

  一种生产烯烃聚合用固体催化剂组分的方法可生产出一种新型的烯烃聚合用固体催化剂组分，该组分具有优异的烯烃聚合活性和聚合过程中对氢的活性，并可生产出具有高MFR、高立体规整度和优异刚性的烯烃聚合物。该方法包括第一步，使镁化合物、四价卤化钛化合物和一种或多种选自特定芳香族二羧酸二酯的第一内部电子供体化合物相互接触以发生反应，然后进行洗涤、第二步：使四价卤化钛化合物和一种或多种第二内部电子供体化合物与第一步得到的产物接触，以发生反应，然后进行洗涤；第三步：使一种或多种第三内部电子供体化合物与第二步得到的产物接触，以发生反应。
• PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS
  申请人：TOHO TITANIUM CO., LTD.

  公开号：EP2963063A1

  公开（公告）日：2016-01-06

  A method for producing a solid catalyst component for olefin polymerization produces a novel solid catalyst component for olefin polymerization that achieves excellent olefin polymerization activity and activity with respect to hydrogen during polymerization, and can produce an olefin polymer that exhibits a high MFR, high stereoregularity, and excellent rigidity. The method includes a first step that brings a magnesium compound, a tetravalent titanium halide compound, and one or more first internal electron donor compounds excluding an aromatic dicarboxylic acid diester into contact with each other to effect a reaction, followed by washing; a second step that brings a tetravalent titanium halide compound and one or more second internal electron donor compounds into contact with a product obtained by the first step to effect a reaction, followed by washing; and a third step that brings one or more third internal electron donor compounds into contact with a product obtained by the second step to effect a reaction.

  一种生产烯烃聚合用固体催化剂组分的方法可生产出一种新型的烯烃聚合用固体催化剂组分，该组分具有优异的烯烃聚合活性和聚合过程中对氢的活性，并可生产出具有高MFR、高立体规整度和优异刚性的烯烃聚合物。该方法包括第一步，使镁化合物、四价卤化钛化合物和一种或多种第一内部电子供体化合物（不包括芳香族二羧酸二酯）相互接触以发生反应，然后进行洗涤；第二步，使四价卤化钛化合物和一种或多种第二内部电子供体化合物与第一步得到的产物接触，以发生反应，然后进行洗涤；以及第三步，使一种或多种第三内部电子供体化合物与第二步得到的产物接触，以发生反应。
• 3-Alkyl-6-Chloro-2-pyrones:  Selective Inhibitors of Pancreatic Cholesterol Esterase
  作者：Lorraine M. Deck、Miranda L. Baca、Stephanie L. Salas、Lucy A. Hunsaker、David L. Vander Jagt

  DOI：10.1021/jm990309x

  日期：1999.10.1

  A series of 3-alkyl-6-chloro-2-pyrones with cyclohexane rings tethered to the S-position was synthesized. The tether ranged from 0 to 4 methylene units. Inhibition of pancreatic-cholesterol esterase by this series of pyrones was markedly dependent upon the length of the tether. Dissociation constants as low as 25 nM were observed for 6-chloro-3-(1-ethyl-2-cyclohexyl)-2-pyranone. This class of cholesterol esterase inhibitors functioned as simple competitive inhibitors of substrate binding rather than as suicide substrates or active site inactivators. Trypsin and chymotrypsin were not strongly inhibited by this class of pyrones. Selectivities for cholesterol esterase were greater than 10(3). This is in contrast to 3-aryl-6-chloro-2-pyrones which are nonselective, irreversible inactivators of serine hydrolases, Thus, replacement of the 3-aryl group by an appropriately tethered 3-alkyl ring can produce highly selective inhibitors of cholesterol esterase. A second series of halogen-containing esters was prepared in which cholesterol was esterified with alpha-haloacyl halides. These haloesters were simple substrates of cholesterol esterase with no evidence of irreversible inactivation.
• Hiers; Adams, Journal of the American Chemical Society, 1926, vol. 48, p. 2392
  作者：Hiers、Adams

  DOI：——

  日期：——