3-O-benzoyl-2,2-bis(benzoyloxymethyl)-1,3-propanediol | 346446-82-0

• 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: 3-O-benzoyl-2,2-bis(benzoyloxymethyl)-1,3-propanediol
• 英文别名: tri-O-benzoylpentaerythritol；tri-O-benzoyl pentaerythriol；[2,2-Bis(benzoyloxymethyl)-3-hydroxypropyl] benzoate
• CAS: 346446-82-0
• 化学式: C₂₆H₂₄O₇
• 分子量: 448.472
• InChiKey: DVVGOHOPUARRIU-UHFFFAOYSA-N

物化性质

• 沸点：
  613.4±55.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-O-benzoyl-2,2-bis(benzoyloxymethyl)-1,3-propanediol 在 sodium methylate 、 silver(l) oxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 64.0h， 生成 O-(4-nitrobenzyl)pentaerythritol
  参考文献：
  名称：

  TAME-Hex A− 一种用于放射免疫成像的新型双功能螯合剂

  摘要：

  已经设计并合成了两种新型（双功能）螯合剂 TAME-Hex A 和 B，它们是基于三足 TAME [三（氨基甲基）乙烷] 结构的聚氨基多羧酸。螯合剂对镓 (III) 离子显示出非常好的稳定性，因此是用于放射免疫成像 (RII)，尤其是正电子发射断层扫描 (PET) 的高效候选者。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejoc.200400224
• 作为产物：
  描述：

  季戊四醇 、 苯甲酰氯 在 吡啶 作用下， 反应 3.0h， 以45%的产率得到3-O-benzoyl-2,2-bis(benzoyloxymethyl)-1,3-propanediol
  参考文献：
  名称：

  TAME-Hex A− 一种用于放射免疫成像的新型双功能螯合剂

  摘要：

  已经设计并合成了两种新型（双功能）螯合剂 TAME-Hex A 和 B，它们是基于三足 TAME [三（氨基甲基）乙烷] 结构的聚氨基多羧酸。螯合剂对镓 (III) 离子显示出非常好的稳定性，因此是用于放射免疫成像 (RII)，尤其是正电子发射断层扫描 (PET) 的高效候选者。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejoc.200400224

文献信息

• Tame based chelators and uses thereof
  申请人：Arslantas Enver

  公开号：US20070148087A1

  公开（公告）日：2007-06-28

  New bifunctional chelation complexes are described. These are based on the structure of the so-called “TAME-HexA” molecule. The compounds are especially useful for forming chelation complexes with metal ions, including radioisotopes.

  描述了新的双功能螯合配合物。这些基于所谓的“TAME-HexA”分子的结构。这些化合物特别适用于与金属离子（包括放射性同位素）形成螯合配合物。
• 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。
• Rubbery blend having low permanent compression set
  申请人：THE GOODYEAR TIRE & RUBBER COMPANY

  公开号：EP0669370A1

  公开（公告）日：1995-08-30

  5n7 Seals for automotive body applications (such as, windows, hoods, trunks and doors) and building applications (such as, window glazing gaskets and weather strips) should be dimensional stable, provide low compression set, and offer outstanding sealing characteristics over a broad temperature range. They must be capable of sealing out noise, wind and water, while providing long-term ultraviolet light resistance. This invention discloses a highly crosslinked nitrile rubber composition which can be easily blended with polyvinyl chloride to make compositions having excellent characteristics for automotive body seals and building industry applications including dimensional stability, low compression set, outstanding sealing characteristics, good low temperature flexibility, and good recyclability, said highly crosslinked nitrile rubber composition being comprised of (1) a highly crosslinked nitrile rubber having repeat units which are derived from (a) 1,3-butadiene, (b) acrylonitrile, and (c) a crosslinking agent, wherein said highly crosslinked nitrile rubber has a Mooney viscosity of about 50 to about 120, a swelling index of less than about 10 percent, a mill shrinkage of less than 10 percent, and a gel content of greater than 90 percent; and (2) from about 1 to about 30 phr of a plasticizer.

  5n7 用于汽车车身应用（如车窗、引擎盖、行李箱和车门）和建筑应用（如车窗玻璃垫圈和耐候条）的密封件应尺寸稳定、压缩永久变形小，并在较宽的温度范围内具有出色的密封特性。它们必须能够隔绝噪音、风和水，同时提供长期的抗紫外线性能。本发明公开了一种高交联丁腈橡胶组合物，这种组合物可以很容易地与聚氯乙烯混合，制成具有优异特性的组合物，用于汽车车身密封和建筑行业应用，包括尺寸稳定性、低压缩永久变形、出色的密封特性、良好的低温柔韧性和良好的可回收性、所述高交联丁腈橡胶组合物由以下成分组成：(1) 高交联丁腈橡胶，其重复单元来源于 (a) 1,3-丁二烯、(b) 丙烯腈和 (c) 交联剂，其中所述高交联丁腈橡胶的门尼粘度约为 50 至 120，膨胀指数小于约 10%，轧机收缩率小于 10%，凝胶含量大于 90%；(2) 约 1 至约 30 phr 的增塑剂。
• Low fogging rubbery polymer
  申请人：THE GOODYEAR TIRE & RUBBER COMPANY

  公开号：EP0780409A2

  公开（公告）日：1997-06-25

  There is a need for polymers which offer increased heat resistance, ultraviolet light resistance, and low fogging characteristics for utilization in automotive interiors. It is particularly critical for polymers which are utilized in making skin compounds for automotive instrument and door panels to display excellent heat resistance, ultraviolet light resistance, and low fogging characteristics. This invention more specifically discloses a rubbery polymer which can be blended with polyvinyl chloride to make leathery compositions having good heat and ultraviolet light resistance, said rubbery polymer being comprised of repeat units which are comprised of (a) butyl acrylate, or optionally a mixture of butyl acrylate and 2-ethylhexyl acrylate containing up to about 40% 2-ethylhexyl acrylate, (b) at least one member selected from the group consisting of methyl methacrylate, ethyl methacrylate, methyl acrylate, and ethyl acrylate, (c) acrylonitrile, (d) styrene, (e) a surfactant selected from the group consisting of sulfonates and sulfate derivatives, (f) a dispersant selected from the group consisting of aromatic formaldehyde condensation products and polycarboxylates, and (g) a crosslinking agent.

  汽车内饰需要具有更高的耐热性、抗紫外线和低雾特性的聚合物。尤其重要的是，用于制造汽车仪表板和门板表皮化合物的聚合物必须具有优异的耐热性、抗紫外线和低雾特性。本发明更具体地公开了一种橡胶聚合物，该聚合物可与聚氯乙烯混合制成具有良好耐热性和耐紫外线性的皮革复合物，所述橡胶聚合物由重复单元组成，这些重复单元包括 (a) 丙烯酸丁酯，或可选的丙烯酸丁酯和丙烯酸 2-乙基己酯的混合物，其中丙烯酸 2-乙基己酯的含量最高约为 40%、(b) 至少一种选自甲基丙烯酸甲酯、甲基丙烯酸乙酯、丙烯酸甲酯和丙烯酸乙酯组成的组的成员； (c) 丙烯腈； (d) 苯乙烯； (e) 一种选自磺酸盐和硫酸盐衍生物组成的组的表面活性剂； (f) 一种选自芳香族甲醛缩合产物和聚羧酸盐组成的组的分散剂；以及 (g) 一种交联剂。
• Coating process and moulding process with a plastisol composition
  申请人：THE GOODYEAR TIRE & RUBBER COMPANY

  公开号：EP0842708A1

  公开（公告）日：1998-05-20

  This invention discloses a process for applying a rubbery coating to a substrate which comprises: (1) dipping the substrate into a plastisol composition in a manner whereby the plastisol composition is applied to the surface of the substrate, wherein the plastisol composition is comprised of (i) polyvinyl chloride, (ii) from about 70 to about 100 parts of a plasticizer per 100 parts of the polyvinylchloride, (iii) from about 1 to about 3 parts of a stabilizer and (iv) from about 10 to about 30 parts of a highly crosslinked nitrile rubber composition per 100 parts of the polyvinyl chloride, wherein the highly crosslinked nitrile rubber has repeat units which are derived from (a) 1,3-butadiene, (b) acrylonitrile and (c) a crosslinking agent, and wherein said highly crosslinked nitrile rubber has a Mooney viscosity of about 50 to about 120, a swelling index of less than about 10 percent, a mill shrinkage of less than 10 percent and a gel content of greater than 90 percent; (2) removing the substrate from the plastisol composition to produce a plastisol coated substrate; (3) heating the plastisol-coated substrate to a temperature which is within the range of about 150°C to about 200°C for a period which is sufficient to fuse the plastisol composition to the substrate producing a rubber-coated substrate. The highly crosslinked rubber compositions of this invention can be utilized in slush molding applications.

  本发明公开了一种将橡胶涂层涂覆到基材上的工艺，该工艺包括(1) 将基材浸入增塑溶胶组合物中，从而将增塑溶胶组合物涂到基材表面，其中增塑溶胶组合物由以下部分组成：(i) 聚氯乙烯；(ii) 每 100 份聚氯乙烯中约 70 至约 100 份增塑剂；(iii) 每 100 份聚氯乙烯中约 1 至约 3 份稳定剂；(iv) 每 100 份聚氯乙烯中约 10 至约 30 份高交联丁腈橡胶组合物、其中高交联丁腈橡胶的重复单元来源于 (a)1，3-丁二烯、(b)丙烯腈和 (c)交联剂，且所述高交联丁腈橡胶的门尼粘度约为 50 至 120，膨胀指数小于约 10%，轧机收缩率小于 10%，凝胶含量大于 90%；(2) 将基底从塑溶胶组合物中移除，生产出塑溶胶涂层基底； (3) 将塑溶胶涂层基底加热至约 150°C 至约 200°C 的温度范围内，加热时间足以将塑溶胶组合物熔融到基底上，生产出橡胶涂层基底。本发明的高交联橡胶组合物可用于泞模应用。