2,4-戊二醇二苯甲酸酯 | 59694-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-戊二醇二苯甲酸酯
• 英文名称: (2R,4R)-2,4-pentanediol dibenzoate
• 英文别名: (2S,4S)-2,4-pentanediol dibenzoate；2,4-pentylene glycol dibenzoate；2, 4-pentanediol-dibenzoate；pentane-2,4-diol dibenzoate；2, 4-dibenzoyloxy pentane；2,4-Pentanediol dibenzoate；4-benzoyloxypentan-2-yl benzoate
• CAS: 59694-10-9
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: JKKDDLAPNLMFHW-UHFFFAOYSA-N

物化性质

• 沸点：
  436.2±28.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-戊二醇 以20%的产率得到
  参考文献：
  名称：

  MITSUNOBU O.; KIMURA J.; IIIZUMI K.; YANAGIDA N., BULL. CHEM. SOC. JAP. , 1976, 49, NO 2, 510-513

  摘要：

  DOI：

文献信息

• Stereoselective and Stereospecific Reactions. III. Benzoylation, Cyclfzation, and Epimerization of Diols
  作者：Oyo Mitsunobu、Junji Kimura、Ken-ichi Iiizumi、Noboru Yanagida

  DOI：10.1246/bcsj.49.510

  日期：1976.2

  The benzoylation of various classes of diols by means of diethyl azodicarboxylate (1) and triphenylphosphine (2) was carried out at room temperature. When primary–secondary diols were treated with an equimolar amount of benzoic acid (3) in the presence of 1.5 molar equivalents of 1 and 2, reaction mainly Occurred at their primary hydroxyl functions. Secondary–secondary diols gave mono- and dibenzoylated products or cyclic ethers. The course of the reactions depends on the structure of diols used. Thus, intermolecular displacement giving benzoates is a favorable process for 1,3-butanediol, 2,4-pentanediol and trans-1,2-indanediol, while 2,5-hexanediol and trans-1,2-cyclohexanediol afford the cyclized products.

  各种类二醇的苯甲酰化反应通过二乙基偶氮二羧酸酯（1）和三苯基膦（2）在室温下进行。当初级-次级二醇与等摩尔的苯甲酸（3）在1和2的1.5摩尔当量存在下反应时，反应主要发生在它们的初级羟基功能上。次级-次级二醇则产生单苯甲酸酯、双苯甲酸酯或环醚。反应的进程依赖于所使用二醇的结构。因此，对于1,3-丁二醇、2,4-戊二醇和反-1,2-茚二醇，给出苯甲酸酯的分子间取代反应是有利的，而2,5-己二醇和反-1,2-环己二醇则产生环化产物。
• Halogenated Amide Ester and Internal Electron Donor with Same
  申请人：Chen Linfeng

  公开号：US20120322964A1

  公开（公告）日：2012-12-20

  Disclosed are halogenated amide esters that are suitable as internal electron donors in procatalyst compositions. Ziegler-Natta catalyst compositions containing the present procatalyst compositions exhibit improved catalyst activity and/or improved catalyst selectivity and produce propylene-based olefins with broad molecular weight distribution.

  揭示了适用作为内部电子给体的卤代酰胺酯在前催化剂组合物中。含有这种前催化剂组合物的齐格勒-纳塔催化剂组合物表现出改善的催化剂活性和/或改善的催化剂选择性，并生产具有广泛分子量分布的丙烯基烯烃。
• [EN] CATALYST SYSTEM FOR POLYMERISATION OF AN OLEFIN<br/>[FR] SYSTÈME CATALYSEUR POUR LA POLYMÉRISATION D'UNE OLÉFINE
  申请人：SAUDI BASIC IND CORP

  公开号：WO2015022298A1

  公开（公告）日：2015-02-19

  The present invention relates to a catalyst system comprising a procatalyst, a co-catalyst and an external electron donor, wherein the external electron donor comprises a compound having the structure according to Formula I: Si (L)n (OR11)4-n (Formula I), wherein, Si is a silicon atom with valency 4+; O is an oxygen atom with valency 2- and O is bonded to Si via the silicon-oxygen bond; n is 1, 2, 3 or 4; R11 is a selected from the group consisting of linear, branched and cyclic alkyl having at most 20 carbon atoms and aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms; L is a group represented by (Formula II), wherein, L is bonded to the silicon atom via the nitrogen-silicon bond; L has a single substituent on the nitrogen atom, where this single substituent is an imine carbon atom; and X and Y are independently selected from the group consisting of a hydrogen atom; a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements; a linear, branched and cyclic alkyl having at most 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements and an aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 7 of the IUPAC Periodic Table of the Elements.

  本发明涉及一种催化剂体系，包括原催化剂、协同催化剂和外部电子供体，其中外部电子供体包括具有以下结构的化合物：Si（L）n（OR11）4-n（式I），其中，Si是具有4价的硅原子；O是具有2价的氧原子，通过硅氧键与Si相连；n为1、2、3或4；R11选自具有最多20个碳原子的线性、支链和环烷基以及具有6至20个碳原子的芳香族取代和未取代的烃基；L是由（式II）表示的一组，其中，L通过氮硅键与硅原子相连；L在氮原子上具有单个取代基，该单个取代基为亚胺碳原子；X和Y分别选自IUPAC元素周期表的13、14、15、16或17族的杂原子、最多含有20个碳原子的线性、支链和环烷基，可以包含来自IUPAC元素周期表的13、14、15、16或17族的杂原子，以及具有6至20个碳原子的芳香族取代和未取代的烃基，可以包含来自IUPAC元素周期表的13、14、15、16或17族的杂原子。
• Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050239636A1

  公开（公告）日：2005-10-27

  The present invention provides a solid catalyst component for the polymerization of olefins, comprising magnesium, titanium, a halogen and an electron donor, wherein said electron donor comprises at least one selected from the group consisting of polyol ester compounds of the formula (I): R 1 CO—O—CR 3 R 4 -A-CR 5 R 6 —O—CO—R 2 (I) wherein, R 1 and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on above-mentioned bivalent linking group and substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring.

  本发明提供了一种用于烯烃聚合的固体催化剂组分，包括镁、钛、卤素和电子给体，其中所述电子给体包括以下至少一种选择自聚醇酯化合物组的化合物（I）：R1CO—O—CR3R4-A-CR5R6—O—CO—R2（I）其中，R1和R2基团可以相同或不同，可以是取代或未取代的1至20个碳原子的烃基，R3-R6基团可以相同或不同，可以选择自氢、卤素或取代或未取代的1至20个碳原子的烃基的群组中，R1-R6基团可以选用一个或多个杂原子代替碳、氢原子或两者，所述杂原子选择自氮、氧、硫、硅、磷和卤素原子的群组，R3-R6基团中的两个或更多个可以连接形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，链长在两个自由基之间为1-10个原子，其中所述双价连接基团选自脂肪族、环脂族和芳香族双价基团的群组，可以携带C1-C20线性或支链取代基；上述双价连接基团和取代基上的一个或多个碳原子和/或氢原子可以被选择自氮、氧、硫、硅、磷和卤素原子的群组中的杂原子取代，两个或更多所述取代基在连接基团上以及上述R3-R6基团中可以连接形成饱和或不饱和的单环或多环环。
• CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST COMPRISING SAME
  申请人：Gao Mingzhi

  公开号：US20130041120A1

  公开（公告）日：2013-02-14

  A catalyst component for olefin polymerization comprising magnesium, titanium, halogen and electron donor, wherein the electron donor is selected from at least one of the diol diester compounds, when the diol diester comprised contains a certain amount of isomer with Fischer projection formula as shown in Formula (II), the activity and stereospecificity of the catalyst are greatly improved, especially in the production of polymers with high melt index, the isotactic index of the obtained polymers is improved substantially.

  一种用于烯烃聚合的催化剂组分，包括镁、钛、卤素和电子给体，其中所述的电子给体选择至少一种二醇二酯化合物，当所包含的二醇二酯化合物具有如公式（II）所示的Fischer投影式的一定量异构体时，催化剂的活性和立体选择性得到极大提高，特别是在生产高熔指聚合物时，所得聚合物的同构指数得到显著提高。