O-propyl propylphosphonate | 21921-97-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: O-propyl propylphosphonate
• 英文别名: monopropyl propylphosphonate；Propylphosphonsaeure-propylester；Propylphosponsaeure-propylester；n-Propylphosphonsaeure-n-propylester；O-Propylhydrogenpropylphosphonat；n-Dipropylphosphorous acid；propoxy(propyl)phosphinic acid
• CAS: 21921-97-1
• 化学式: C₆H₁₅O₃P
• 分子量: 166.157
• InChiKey: GYYRXYBFCHBEIC-UHFFFAOYSA-N

物化性质

• 沸点：
  91-92 °C(Press: 10 Torr)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  亚磷酸酯二正丙脂 在 sodium 作用下， 以 xylene 为溶剂， 生成 O-propyl propylphosphonate
  参考文献：
  名称：

  Pudovik,A.N.; Tarasova,R.I., Journal of general chemistry of the USSR, 1964, vol. 34, p. 1142 - 1146

  摘要：

  DOI：

文献信息

• Microwave-Assisted Ionic Liquid-Catalyzed Selective Monoesterification of Alkylphosphonic Acids—An Experimental and a Theoretical Study
  作者：Nikoletta Harsági、Réka Henyecz、Péter Ábrányi-Balogh、László Drahos、György Keglevich

  DOI：10.3390/molecules26175303

  日期：——

  It is well-known that the P-acids including phosphonic acids resist undergoing direct esterification. However, it was found that a series of alkylphoshonic acids could be involved in monoesterification with C2–C4 alcohols under microwave (MW) irradiation in the presence of [bmim][BF4] as an additive. The selectivity amounted to 80–98%, while the isolated yields fell in the range of 61–79%. The method developed is a green method for P-acid esterification. DFT calculations at the M062X/6–311+G (d,p) level of theory (performed considering the solvent effect of the corresponding alcohol) explored the three-step mechanism, and justified a higher enthalpy of activation (160.6–194.1 kJ·mol−1) that may be overcome only by MW irradiation. The major role of the [bmim][BF4] additive is to increase the absorption of MW energy. The specific chemical role of the [BF4] anion of the ionic liquid in an alternative mechanism was also raised by the computations.

  众所周知，包括膦酸在内的P-酸不易直接酯化。然而，发现一系列烷基膦酸在微波（MW）辐射下与C2-C4醇在[bmim][BF4]存在下可以进行单酯化反应。选择性达到80-98％，而分离收率在61-79％的范围内。所开发的方法是一种绿色的P-酸酯化方法。在M062X/6-311+G(d,p)理论水平上进行的DFT计算（考虑了相应醇的溶剂效应）探索了三步机制，并证明了较高的活化焓（160.6-194.1 kJ·mol-1），只有通过MW辐射才能克服。[bmim][BF4]添加剂的主要作用是增加MW能量的吸收。计算还提出了离子液体中[BF4]阴离子的特定化学作用在另一种机制中的作用。
• Process for the preparation of lactic acid-based polyester compositions
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0765913A1

  公开（公告）日：1997-04-02

  The present invention provides a process for the preparation of a biodegradable lactic acid-based polyester composition excellent in thermal stability, storage stability, flexibility, heat resistance, mechanical and physical properties and moldability which comprises kneading a lactic acid-based polyester and a polyester consisting of dicarboxylic acid component(s) and diol component(s) with a chelating agent, an acidic phosphoric acid ester, a molecular weight increasing agent, etc., and then devolatilizing the kneaded mixture. The present invention also provides a molding process of the foregoing lactic acid-based polyester composition. A process for the preparation of a lactic acid-based polyester composition is provided, which comprises melt-kneading a lactic acid-based polyester (A), a polyester (B) consisting of dicarboxylic acid component(s) and diol component(s) and a chelating agent and/or acidic phosphoric acid ester (C) in an amount such that the weight ratio (A)/(B) is from 99/1 to 10/90 and the proportion of (C) is 0.001 to 5 parts by weight based on 100 parts by weight of the sum of (A) and (B). A process for molding a lactic acid-based polyester composition is also provided, which comprises kneading a lactic acid-based polyester (A) and a polyester (B) consisting of dicarboxylic acid component(s) and diol component(s) with a chelating agent and/or acidic phosphoric acid ester (C), and then molding the material.

  本发明提供了一种在热稳定性、储存稳定性、柔韧性、耐热性、机械和物理性能以及成型性方面具有优异性能的可生物降解的乳酸基聚酯组合物的制备工艺，该工艺包括将乳酸基聚酯和由二羧酸组分和二元醇组分组成的聚酯与螯合剂、酸性磷酸酯、分子量增加剂等进行捏合，然后将捏合后的混合物脱胶。本发明还提供了前述乳酸基聚酯组合物的成型工艺。本发明提供了一种乳酸基聚酯组合物的制备工艺，该工艺包括熔融捏合乳酸基聚酯 (A)、由二羧酸组分和二元醇组分组成的聚酯 (B) 以及螯合剂和/或酸性磷酸酯 (C)，其用量使得(A)/(B)的重量比为 99/1 至 10/90，(C)的比例为 0.001至5份重量比，以100份重量比的(A)和(B)之和为基准。还提供了一种成型乳酸基聚酯组合物的工艺，包括将乳酸基聚酯（A）和由二羧酸组分和二元醇组分组成的聚酯（B）与螯合剂和/或酸性磷酸酯（C）捏合，然后将材料成型。
• Light-emitting device and method for producing same
  申请人：Sumitomo Chemical Company, Limited

  公开号：US10711091B2

  公开（公告）日：2020-07-14

  Provided is a light-emitting device including an anode, a light-emitting layer, an electron-transporting layer and a cathode. The electron-transporting layer contains at least one electron-transporting material whose LUMO level is −3.0 eV or more and at least one dopant material selected from the group consisting of a heterocyclic compound whose SOMO level is −2.2 to −1.5 eV and a derivative thereof. The LUMO level of the electron-transporting material is smaller than the SOMO level of the heterocyclic compound.

  本发明提供了一种发光器件，包括阳极、发光层、电子传输层和阴极。电子传输层包含至少一种电子传输材料，其 LUMO 水平为 -3.0 eV 或更高，以及至少一种掺杂材料，该掺杂材料选自由 SOMO 水平为 -2.2 至 -1.5 eV 的杂环化合物及其衍生物组成的组。电子传输材料的 LUMO 电平小于杂环化合物的 SOMO 电平。
• LIGHT-EMITTING ELEMENT AND METHOD FOR MANUFACTURING SAME
  申请人：Sumitomo Chemical Company, Ltd

  公开号：EP3416205B1

  公开（公告）日：2021-03-17
• LIGHT-EMITTING DEVICE AND METHOD FOR PRODUCING SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20190048131A1

  公开（公告）日：2019-02-14

  Provided is a light-emitting device including an anode, a light-emitting layer, an electron-transporting layer and a cathode. The electron-transporting layer contains at least one electron-transporting material whose LUMO level is −3.0 eV or more and at least one dopant material selected from the group consisting of a heterocyclic compound whose SOMO level is −2.2 to −1.5 eV and a derivative thereof. The LUMO level of the electron-transporting material is smaller than the SOMO level of the heterocyclic compound.