Benzoic acid 1-ethyl-pentyl ester | 52513-01-6

• 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: Benzoic acid 1-ethyl-pentyl ester
• 英文别名: Benzoic acid, hept-3-yl ester；heptan-3-yl benzoate
• CAS: 52513-01-6
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: QBMDOZADPSFEBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Benzoic acid 1-ethyl-pentyl ester 在 蒽醌 、 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以51%的产率得到6-fluoroheptan-3-yl benzoate
  参考文献：
  名称：

  Selective fluorination of alkyl C–H bonds via photocatalysis

  摘要：

  我们报道了使用蒽醌作为光催化剂，通过与Selectfluor®进行能量转移，生成阳离子N-自由基，用于氟化未活化的C-H键。

  DOI：

  10.1039/c4cc01848f
• 作为产物：
  描述：

  正庚烷 、 生成 4-溴庚烷 、 3-溴庚烷 、 2-溴庚烷 、 4-heptyl benzoate 、 庚烷-2-基苯甲酸酯 、 Benzoic acid 1-ethyl-pentyl ester
  参考文献：
  名称：

  “溴化二苯甲酸银”苯甲酰化过程中的异常取向效应

  摘要：

  由溴和苯甲酸银形成的固体络合物分别与芳烃和烷烃反应形成芳基苯甲酸酯和烷基苯甲酸酯。在芳烃的苯甲酰氧基化中观察到非常不寻常的取代基效应。芳环上的吸电子基团（例如–NO2、–CN、–CO–）通过将攻击试剂专门导向间位来促进反应。在烷烃中，三级位置最容易受到攻击。

  DOI：

  10.1246/cl.1984.1471

文献信息

• CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME
  申请人：China Petroleum&Chemical Corporation

  公开号：EP3135699A1

  公开（公告）日：2017-03-01

  The present invention discloses a catalyst component for propene polymerization, comprising titanium, magnesium, halogen, and internal electron donor A, wherein said internal electron donor A is selected from the compouns as shown in Formula I, in Formula I, R is selected from hydrogen, hydroxyl, and substituted or unsubstituted C1-C30 hydrocarbyl, preferably from hydrogen, hydroxyl, and substituted or unsubstituted C1-C20 alkyl, C6-C30 aryl, C6-C30 heteroaryl, C7-C30 alkylaryl and C7-C30 arylalkyl; R1 and R2 may be identical to or different from each other, and are selected from hydrogen and substituted or unsubstituted C1-C30 hydrocarbyl, preferably from hydrogen and substituted or unsubstituted C1-C20 alkyl, C6-C30 aryl, C7-C30 alkylaryl and C7-C30 arylalkyl. According to the present invention, by using the compound as shown in Formula I as internal electron donor compound for propene polymerization, the catalyst has a higher activity, and a slow rate of delay of activity. The obtained polymer has not only a wider molecular weight distribution, but also a high melt index and isotacticity.

  本发明公开了一种用于丙烯聚合的催化剂组分，由钛、镁、卤素和内部电子供体 A 组成，其中所述内部电子供体 A 选自如式 I 所示的化合物、 在式 I 中，R 选自氢、羟基和取代或未取代的 C1-C30 碳氢基，优选选自氢、羟基和取代或未取代的 C1-C20 烷基、C6-C30 芳基、C6-C30 杂芳基、C7-C30 烷芳基和 C7-C30 芳烷基；R1和R2可以彼此相同或不同，并且选自氢和取代或未取代的C1-C30烃基，优选选自氢和取代或未取代的C1-C20烷基、C6-C30芳基、C7-C30烷芳基和C7-C30芳烷基。根据本发明，使用如式 I 所示的化合物作为丙烯聚合的内部电子供体化合物，催化剂具有更高的活性，并且活性延迟的速度较慢。所得到的聚合物不仅分子量分布更广，而且熔融指数和等活度都很高。
• Catalyst component for propene polymerization, preparation method thereof, and catalyst containing the same
  申请人：China Petroleum & Chemical Corporation

  公开号：US10184017B2

  公开（公告）日：2019-01-22

  The present invention discloses a catalyst component for propene polymerization, comprising titanium, magnesium, halogen, and internal electron donor A, wherein said internal electron donor A is selected from the compounds as shown in Formula I, in Formula I, R is selected from hydrogen, hydroxyl, and substituted or unsubstituted C1-C30 hydrocarbyl, preferably from hydrogen, hydroxyl, and substituted or unsubstituted C1-C20 alkyl, C6-C30 aryl, C6-C30 heteroaryl, C7-C30 alkylaryl and C7-C30 arylalkyl; R1 and R2 may be identical to or different from each other, and are selected from hydrogen and substituted or unsubstituted C1-C30 hydrocarbyl, preferably from hydrogen and substituted or unsubstituted C1-C20 alkyl, C6-C30 aryl, C7-C30 alkylaryl and C7-C30 arylalkyl. According to the present invention, by using the compound as shown in Formula I as internal electron donor compound for propene polymerization, the catalyst has a higher activity, and a slow rate of delay of activity. The obtained polymer has not only a wider molecular weight distribution, but also a high melt index and isotacticity.

  本发明公开了一种用于丙烯聚合的催化剂组分，由钛、镁、卤素和内部电子供体 A 组成，其中所述内部电子供体 A 选自如式 I 所示的化合物、 在式 I 中，R 选自氢、羟基和取代或未取代的 C1-C30 碳氢基，优选选自氢、羟基和取代或未取代的 C1-C20 烷基、C6-C30 芳基、C6-C30 杂芳基、C7-C30 烷芳基和 C7-C30 芳烷基；R1和R2可以彼此相同或不同，并且选自氢和取代或未取代的C1-C30烃基，优选选自氢和取代或未取代的C1-C20烷基、C6-C30芳基、C7-C30烷芳基和C7-C30芳烷基。根据本发明，使用如式 I 所示的化合物作为丙烯聚合的内部电子供体化合物，催化剂具有更高的活性，并且活性延迟的速度较慢。所得到的聚合物不仅分子量分布更广，而且熔融指数和等活度都很高。
• Catalyst Component for Propene Polymerization, Preparation Method Thereof, and Catalyst Containing the Same
  申请人：China Petroleum & Chemical Corporation

  公开号：US20170044280A1

  公开（公告）日：2017-02-16

  The present invention discloses a catalyst component for propene polymerization, comprising titanium, magnesium, halogen, and internal electron donor A, wherein said internal electron donor A is selected from the compounds as shown in Formula I, in Formula I, R is selected from hydrogen, hydroxyl, and substituted or unsubstituted C 1 -C 30 hydrocarbyl, preferably from hydrogen, hydroxyl, and substituted or unsubstituted C 1 -C 20 alkyl, C 6 -C 30 aryl, C 6 -C 30 heteroaryl, C 7 -C 30 alkylaryl and C 7 -C 30 arylalkyl; R 1 and R 2 may be identical to or different from each other, and are selected from hydrogen and substituted or unsubstituted C 1 -C 30 hydrocarbyl, preferably from hydrogen and substituted or unsubstituted C 1 -C 20 alkyl, C 6 -C 30 aryl, C 7 -C 30 alkylaryl and C 7 -C 30 arylalkyl. According to the present invention, by using the compound as shown in Formula I as internal electron donor compound for propene polymerization, the catalyst has a higher activity, and a slow rate of delay of activity. The obtained polymer has not only a wider molecular weight distribution, but also a high melt index and isotacticity.
• ANOMALOUS ORIENTATIONAL EFFECTS DURING BENZOYLOXYLATIONS BY “SILVER BROMIDE DIBENZOATE”
  作者：Derek Bryce-Smith、Neil S. Isaacs、Seddeg O. Tumi

  DOI：10.1246/cl.1984.1471

  日期：1984.9.5

  formed from bromine and silver benzoate reacts with both arenes and alkanes to form aryl and alkyl benzoates, respectively. Highly unusual substituent effects are observed in the benzoyloxylations of arenes. Electron-withdrawing groups (e.g. –NO2, –CN, –CO–) on the aromatic ring facilitate reaction though directing the attacking reagent exclusively to the meta position. In alkanes, tertiary positions are

  由溴和苯甲酸银形成的固体络合物分别与芳烃和烷烃反应形成芳基苯甲酸酯和烷基苯甲酸酯。在芳烃的苯甲酰氧基化中观察到非常不寻常的取代基效应。芳环上的吸电子基团（例如–NO2、–CN、–CO–）通过将攻击试剂专门导向间位来促进反应。在烷烃中，三级位置最容易受到攻击。
• Selective fluorination of alkyl C–H bonds <i>via</i> photocatalysis
  作者：Choon Wee Kee、Kek Foo Chin、Ming Wah Wong、Choon-Hong Tan

  DOI：10.1039/c4cc01848f

  日期：——

  We report the generation of cationic N-radicals from Selectfluor® via energy transfer with anthraquinone as a photocatalyst for the fluorination of unactivated C–H bonds.

  我们报道了使用蒽醌作为光催化剂，通过与Selectfluor®进行能量转移，生成阳离子N-自由基，用于氟化未活化的C-H键。