4-(2,2-dimethyl-1-oxopropyl)-2,2-bis-(hydroxymethyl)-1,3-propanediyl ester | 76597-90-5

• 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: 4-(2,2-dimethyl-1-oxopropyl)-2,2-bis-(hydroxymethyl)-1,3-propanediyl ester
• 英文别名: 2,2-bis(benzoyloxymethyl)-1,3-propanediol；dibenzoylpentaerythritol；2,2-bis-benzoyloxymethyl-propane-1,3-diol；2,2-Bis-benzoyloxymethyl-propan-1,3-diol；Pentaerythritol, dibenzoate；[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
• CAS: 76597-90-5
• 化学式: C₁₉H₂₀O₆
• 分子量: 344.364
• InChiKey: JJUSZGHCZMBOEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  537.6±50.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(2,2-dimethyl-1-oxopropyl)-2,2-bis-(hydroxymethyl)-1,3-propanediyl ester 、 均苯三甲醛 在 对甲苯磺酸 作用下， 生成 [5-(benzoyloxymethyl)-2-[3,5-bis[5,5-bis(benzoyloxymethyl)-1,3-dioxan-2-yl]phenyl]-1,3-dioxan-5-yl]methyl benzoate
  参考文献：
  名称：

  Lemcoff, N Gabriel; Fuchs, Benzion, Organic letters, 2002, vol. 4, # 5, p. 731 - 734

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-bis-benzoyloximethyl-2,2-dimethyl-[1,3]dioxane 在 盐酸 作用下， 以98%的产率得到4-(2,2-dimethyl-1-oxopropyl)-2,2-bis-(hydroxymethyl)-1,3-propanediyl ester
  参考文献：
  名称：

  ANTIFOULING COMPOSITIONS INCLUDING DIOXABORINANES AND USES THEREOF

  摘要：

  提供一种包括具有二氧硼环基团的化合物的防污组合物。在物品上涂覆或浸渍该防污组合物的方法包括杀灭或阻止一种或多种生物在物品上生长，这些生物生活在淡水或盐水中。

  公开号：

  US20140037704A1

文献信息

• DIOXABORINANES AND USES THEREOF
  申请人：CARLSON William B.

  公开号：US20130252009A1

  公开（公告）日：2013-09-26

  A dioxaborinane compound, or salt thereof, where boron has two oxy substituents, each independently substituted with H, alkyl, alkenyl, aryl, —C(O)R 3 , —C(O)OR 3 , —C(O)NHR 3 , or the two oxy substituents, together with the oxygen atoms to which they are bonded, join to form a 5- or 6-membered ring; and R 3 is H, alkyl, alkenyl, or aryl, where the alkyl and alkenyl are optionally interrupted with one or more oxygen or sulfur atoms; and where boron also has the substituent -L-X 1 —PG 1 ; where L may be absent, or alkylenyl, alkenylenyl, or arylene, where the alkylenyl and alkenylenyl are optionally interrupted with one or more oxygen or sulfur atoms; X 1 is absent, or is amino, oxo, thio, or phosphino; and PG 1 is a polymerizable group. The dioxaborinane compound can be used as a wood preservative.

  一种二氧代硼环丙烷化合物或其盐，其中硼具有两个氧基取代基，每个独立地取代为H、烷基、烯基、芳基、—C(O)R3、—C(O)OR3、—C(O)NHR3，或这两个氧基取代基与它们结合的氧原子一起形成5-或6-成员环；R3为H、烷基、烯基或芳基，其中烷基和烯基可以被一个或多个氧或硫原子中断；硼还具有取代基-L-X1—PG1；其中L可以不存在，或为烷基亚烯基或芳亚烯基，其中烷基亚烯基可以被一个或多个氧或硫原子中断；X1不存在，或为氨基、氧代、硫代或膦代；PG1为可聚合基团。这种二氧代硼环丙烷化合物可用作木材防腐剂。
• [EN] DIOXABORINANES AND USES THEREOF<br/>[FR] DIOXABORINANES ET LEURS UTILISATIONS
  申请人：EMPIRE TECHNOLOGY DEV LLC

  公开号：WO2013141875A1

  公开（公告）日：2013-09-26

  A dioxaborinane compound, or salt thereof, where boron has two oxy substituents, each independently substituted with H, alkyl, alkenyl, aryl, -C(O)R3, -C(O)OR3, -C(O)NHR3, or the two oxy substituents, together with the oxygen atoms to which they are bonded, join to form a 5- or 6-membered ring; and R3 is H, alkyl, alkenyl, or aryl, where the alkyl and alkenyl are optionally interrupted with one or more oxygen or sulfur atoms; and where boron also has the substituent -L-X1-PG1; where L may be absent, or alkylenyl, alkenylenyl, or arylene, where the alkylenyl and alkenylenyl are optionally interrupted with one or more oxygen or sulfur atoms; X1 is absent, or is amino, oxo, thio, or phosphino; and PG1 is a polymerizable group. The dioxaborinane compound can be used as a wood preservative.

  一种二氧硼环化合物，或其盐，其中硼具有两个氧基取代基，每个独立地被取代为H、烷基、烯基、芳基、-C(O)R3、-C(O)OR3、-C(O)NHR3，或这两个氧基取代基与它们结合的氧原子一起形成5-或6-成员环；R3为H、烷基、烯基或芳基，其中烷基和烯基可以被一个或多个氧或硫原子中断；硼还具有取代基-L-X1-PG1；其中L可以不存在，或为烷基亚烯基或芳基，其中烷基亚烯基可以被一个或多个氧或硫原子中断；X1不存在，或为氨基、氧基、硫基或膦基；PG1为可聚合基团。这种二氧硼环化合物可用作木材防腐剂。
• The anomalous reactivity of the bis(dibutylstannylene) acetal of pentaerythritol: a case of triple activation
  作者：Serge David

  DOI：10.1016/s0008-6215(01)00034-9

  日期：2001.4

  The only dibutyltin derivative of pentaerythritol which is observed by refluxing with dibutyltin oxide in methanol is a bis(dibutylstannylene) acetal. This is converted to the expected dibenzyl ether with benzyl bromide, in the presence of tetraethylammonium bromide in boiling toluene, but benzoylation at room temperature gives a tribenzoate. A mechanism is suggested to account for this triple activation

  通过与二丁基氧化锡在甲醇中回流观察到的季戊四醇的唯一二丁基锡衍生物是双（二丁基锡亚烷基）乙缩醛。在四乙基溴化铵在沸腾的甲苯中存在下，将其与苄基溴一起转化为预期的二苄基醚，但在室温下苯甲酰化得到三苯甲酸酯。建议一种机制来解释这种三重激活。
• 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。
• Orthner; Freyss, Justus Liebigs Annalen der Chemie, 1930, vol. 484, p. 131,147
  作者：Orthner、Freyss

  DOI：——

  日期：——