9-Fluorenylidenmalonsaeurediaethylester | 41589-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9-Fluorenylidenmalonsaeurediaethylester
• 英文别名: diethyl fluoren-9-ylidene malonate；Diethyl 2-fluoren-9-ylidenepropanedioate
• CAS: 41589-48-4
• 化学式: C₂₀H₁₈O₄
• 分子量: 322.361
• InChiKey: BUQIAQKXUJSOQM-UHFFFAOYSA-N

物化性质

• 沸点：
  435.8±40.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  9-Fluorenylidenmalonsaeurediaethylester 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 生成 fluoren-9-ylidenemalonic acid
  参考文献：
  名称：

  新的 C2-对称芴-9-亚基丙二酸酯衍生的双（恶唑啉）配体的合成及其在 Friedel-Crafts 反应中的应用。

  摘要：

  一系列新的 C(2)-对称芴 9-ylidene 丙二酸酯派生的 bis(oxazoline) 配体是通过方便的路线从芴 9-ylidene 丙二酸酯和对映体纯氨基醇合成的。评估了它们在吲哚与亚芳基丙二酸酯的 Friedel-Crafts 反应中的不对称催化性能，并且带有苯基的芴-9-亚基丙二酸酯衍生的双（恶唑啉）的 Cu(OTf)2 络合物显示出中等至良好的对映选择性。高达 88% ee）。

  DOI：

  10.3390/molecules15128582
• 作为产物：
  描述：

  9-芴酮 、 丙二酸二乙酯 在 四氯化钛 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 生成 9-Fluorenylidenmalonsaeurediaethylester
  参考文献：
  名称：

  TiCl 4 /碱-Knoevenagel-kondensationen mit：酮酮和α-卤素酮

  摘要：

  在THF中存在四氯化钛和吡啶的情况下，丙二酸二乙酯与脂肪族和芳香族酮缩合。即使在其他缩合方法不成功的情况下，所得的α，β-不饱和化合物的收率也良好。由α-单-，α，α-，α，α'-二-和α，α，α-三卤代酮制得的产物可能作为制备杂环的有用中间体特别受关注。

  DOI：

  10.1016/0040-4020(73)85007-0

文献信息

• Determination of Thermodynamic Affinities of Various Polar Olefins as Hydride, Hydrogen Atom, and Electron Acceptors in Acetonitrile
  作者：Ying Cao、Song-Chen Zhang、Min Zhang、Guang-Bin Shen、Xiao-Qing Zhu

  DOI：10.1021/jo4010926

  日期：2013.7.19

  thermodynamic affinities of the hydrogen adducts of the polar olefins (XH•) obtaining electrons in acetonitrile were determined using titration calorimetry and electrochemical methods. The pure C═C π-bond heterolytic and homolytic dissociation energies of the polar olefins (X) in acetonitrile and the pure C═C π-bond homolytic dissociation energies of the radical anions of the polar olefins (X•–) in acetonitrile

  合成了一系列具有各种典型结构（X）的69种极性烯烃，并获得了氢化物阴离子，氢原子和电子的极性烯烃的热力学亲和力（以摩尔焓变或标准氧化还原电势定义）。利用滴定热法和电化学法测定了极性烯烃（X •–）的质子和氢原子的自由基阴离子的热力学亲和力和极性烯烃（XH •）的电子在乙腈中的电子的热力学亲和力。方法。极性烯烃的纯C═Cπ键杂化和均解离能（X）和乙腈中极性烯烃（X •–）的自由基阴离子的纯C═Cπ键均解离能。使用Hammett线性自由能关系研究了远程取代基对极性烯烃及其相关反应中间体的六个热力学亲和力的影响；结果表明，哈米特线性自由能关系在六个化学和电化学过程中均成立。这项工作中公开的信息不仅可以弥补烯烃作为一类非常重要的有机不饱和化合物的化学热力学的空白，而且可以极大地促进烯烃化学和应用的快速发展。
• Process for producing ethylene oligomers
  申请人：HANWHA TOTAL PETROCHEMICAL CO., LTD.

  公开号：US10308563B2

  公开（公告）日：2019-06-04

  The present disclosure relates to a process for producing ethylene oligomers and more particularly, to a process for oligomerizing ethylene by recycling butene, hexene, and octene in an ethylene oligomerization reaction with a catalyst system including a transition metal or transition metal precursor, a ligand with a backbone structure expressed by the following Chemical Formula 1, and a co-catalyst. [Chemical Formula 1] R1—O—Y—O—R2 or R1—OC(═O)—Y—C(═O)OR2 Herein, R1, R2 are each independently hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl, or substituted heterohydrocarbyl, and Y represents a group connecting O or C(═O)O and is hydrocarbyl, substituted hydrocarbyl, hetero hydrocarbyl, or substituted heterohydrocarbyl. According to the oligomerization method of the present disclosure, in the distribution of the produced α-olefins, C10″-C12″ α-olefins care highly distributed, the produced α-olefins have a remarkably high purity.

  本公开涉及一种生产乙烯低聚物的工艺，更具体地说，涉及一种通过在乙烯低聚反应中回收丁烯、己烯和辛烯而使乙烯低聚的工艺，该催化剂体系包括过渡金属或过渡金属前体、具有以下化学式1表示的骨架结构的配位体和助催化剂。[化学式 1] R1-O-Y-O-R2 或 R1-OC(═O)-Y-C(═O)OR2 这里，R1、R2 各自独立地为烃基、取代的烃基、杂烃基或取代的杂烃基，Y 代表连接 O 或 C(═O)O 的基团，并且是烃基、取代的烃基、杂烃基或取代的杂烃基。根据本公开的低聚方法，在生成的α-烯烃的分布中，C10″-C12″ α-烯烃的分布较多，生成的α-烯烃具有显著的高纯度。
• Synthesis of 9-Fluorenylidenes and 9,10-Phenanthrenes through Palladium-Catalyzed Aryne Annulation by <i>o</i>-Halostyrenes and <i>o</i>-Halo Allylic Benzenes
  作者：Shilpa A. Worlikar、Richard C. Larock

  DOI：10.1021/jo9017827

  日期：2009.12.4

  A number of functionally substituted 9-fluorenylidenes and 9,10-phenanthrenes have been synthesized from substituted o-halostyrenes and o-halo allylic benzenes respectively in good yields by the palladium-catalyzed annulation of arynes. The methodology tolerates a variety of functional groups, including cyano, ester, aldehyde, and ketone groups, occurs Under relatively mild reaction conditions, and involves the generation of two new carbon-carbon bonds, thus providing these important carbocyclic ring systems in a single synthetic step.
• PROCESS FOR PRODUCING ETHYLENE OLIGOMERS
  申请人：HANWHA TOTAL PETROCHEMICAL CO., LTD.

  公开号：US20180170827A1

  公开（公告）日：2018-06-21

  The present disclosure relates to a process for producing ethylene oligomers and more particularly, to a process for oligomerizing ethylene by recycling butene, hexene, and octene in an ethylene oligomerization reaction with a catalyst system including a transition metal or transition metal precursor, a ligand with a backbone structure expressed by the following Chemical Formula 1, and a co-catalyst. [Chemical Formula 1] R 1 —O—Y—O—R 2 or R 1 —OC(═O)—Y—C(═O)OR 2 Herein, R 1 , R 2 are each independently hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl, or substituted heterohydrocarbyl, and Y represents a group connecting O or C(═O)O and is hydrocarbyl, substituted hydrocarbyl, hetero hydrocarbyl, or substituted heterohydrocarbyl. According to the oligomerization method of the present disclosure, in the distribution of the produced α-olefins, C10″-C12″ α-olefins care highly distributed, the produced α-olefins have a remarkably high purity.
• CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION AND METHOD FOR PRODUCING ETHYLENE OLIGOMERIZATION USING THE SAME
  申请人：HANWHA TOTAL PETROCHEMICAL CO., LTD.

  公开号：US20180169642A1

  公开（公告）日：2018-06-21

  The present disclosure relates to a catalyst system for ethylene oligomerization and a method for producing ethylene oligomerization using the same and more particularly, to a catalyst system for ethylene oligomerization including a transition metal or transition metal precursor with a new structure, a ligand with a backbone structure expressed by the following Chemical Formula 1 or Chemical Formula 2, and a co-catalyst for providing an ethylene oligomer and a method for producing ethylene oligomerization using the same. [Chemical Formula 1] R 1 —OC(═O)—Y 1 —C(═O)OR 2 Herein, R 1 , R 2 are each independently hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl, or substituted heterohydrocarbyl, and Y 1 represents a group connecting CO(═O). [Chemical Formula 2] R 1 —O—Y 2 —O—R 2 Herein, R 1 , R 2 are each independently hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl, or substituted heterohydrocarbyl, and Y 2 represents a group connecting O and is a linear, branched, or cyclic alkyl group having 3 or more carbon atoms, or hetero hydrocarbyl, or substituted heterohydrocarbyl. The catalyst system of the present disclosure has an excellent catalytic activity and in the distribution of the produced α-olefins, C8″-C18″ α-olefins are highly distributed.