二丁基丙烷膦酸酯 | 4628-12-0

• 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
• 中文名称: 二丁基丙烷膦酸酯
• 中文别名: 二丁酯(1-丙基)膦酸酯
• 英文名称: Propylphosphonsaeure-dibutylester
• 英文别名: Dibutyl propylphosphonate；1-[butoxy(propyl)phosphoryl]oxybutane
• CAS: 4628-12-0
• 化学式: C₁₁H₂₅O₃P
• mdl: MFCD00041391
• 分子量: 236.291
• InChiKey: XCUMIEFHVASVMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  133-137 °C(Press: 10 Torr)
• 密度：
  0.9598 g/cm3
• 稳定性/保质期：
  在常温常压下，该物质保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2931900090
• 安全说明：
  S24/25

反应信息

• 作为反应物：
  描述：

  二丁基丙烷膦酸酯 在 五氯化磷 作用下， 生成 1-丙基二氯化磷
  参考文献：
  名称：

  Geiseler,G. et al., Chemische Berichte, 1960, vol. 93, p. 765 - 774

  摘要：

  DOI：
• 作为产物：
  描述：

  Butoxy(propyl)phosphinic acid 、 正丁醇 在 氯化亚砜 作用下， 反应 2.0h， 生成 二丁基丙烷膦酸酯
  参考文献：
  名称：

  利用 P-烷基 2,3-氧杂磷杂双环 [2.2.2] 辛烯 3-氧化物前体对亲核试剂进行片段化相关的膦酰化

  摘要：

  新的 P-烷基 2,3-氧杂磷杂双环-[2.2.2] 辛烯 3-氧化物是通过相应的 7-磷酰冰片烯 7-氧化物的 Bayer-Villiger 氧化合成的，并用作反应性烷基偏膦酸酯的前体，可用于醇的膦酰化. 这是第一个通过 O 插入形成的两种区域异构体的反应性不同的情况，并且在微波辅助条件下实现了导致膦酸酯的断裂相关的膦酰化。

  DOI：

  10.1002/hc.21304

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。
• POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME
  申请人：Toray Industries, Inc.

  公开号：EP3131145A1

  公开（公告）日：2017-02-15

  [Problem] To provide: a polymer electrolyte composition that has excellent chemical stability that makes it possible to withstand a strong oxidizing atmosphere during fuel cell operation, that makes it possible to achieve excellent protonic conductivity under low humidity conditions, excellent mechanical strength, and excellent physical durability, and that is highly practical; and a polymer electrolyte membrane, a membrane-electrode assembly, and a solid polymer fuel cell that use the polymer electrolyte composition. [Solution] A polymer electrolyte composition that comprises at least an ionic group-containing polymer (A), an organic phosphorus-based additive (C), and a nitrogen-containing heteroaromatic ring system additive (D) and that is characterized by the nitrogen-containing heteroaromatic ring system additive (D) comprising at least three nitrogen-containing heteroaromatic rings within a molecule thereof. In addition, the polymer electrolyte membrane, the catalyst layer-equipped electrolyte membrane, the membrane-electrode assembly, and the solid polymer fuel cell of the present invention are characterized by being configured using the polymer electrolyte composition.

  问题 提供一种聚合物电解质组合物，该组合物具有优异的化学稳定性，能够在燃料电池运行期间耐受强氧化性气氛，能够在低湿度条件下实现优异的质子电导率，具有优异的机械强度和优异的物理耐久性，并且具有很高的实用性；以及一种使用该聚合物电解质组合物的聚合物电解质膜、膜电极组件和固体聚合物燃料电池。[解决方案]一种聚合物电解质组合物，它至少包含一种含离子基团的聚合物（A）、一种有机磷基添加剂（C）和一种含氮杂芳香族环系添加剂（D），其特征在于含氮杂芳香族环系添加剂（D）在其分子内至少包含三个含氮杂芳香族环。此外，本发明的聚合物电解质膜、配备催化剂层的电解质膜、膜电极组件和固体聚合物燃料电池的特征在于使用聚合物电解质组合物进行配置。
• Aluminum salts of phosphinic acids
  申请人：Ticona GmbH

  公开号：US20010025116A1

  公开（公告）日：2001-09-27

  Aluminum salts of phosphinic acid or diphosphinic acids having alkyl and/or aryl substitutes, obtainable by heating an ester of the corresponding phosphinic acids or diphosphinic acids with aluminum hydroxide at a temperature of more than 150° C. under pressure in the presence of water, are distinguished by a particular crystal structure and are suitable as flameproofing agents for plastics.

  具有烷基和/或芳基取代基的膦酸或二膦酸的铝盐，可通过在水的存在下，将相应的膦酸或二膦酸的酯与氢氧化铝在 150°C 以上的温度和压力下加热而获得，具有特殊的晶体结构，可用作塑料的阻燃剂。
• Acharya, Jyotiranjan; Shakya, Purushottam D.; Pardasani, Deepak, Journal of Chemical Research, 2005, # 3, p. 194 - 196
  作者：Acharya, Jyotiranjan、Shakya, Purushottam D.、Pardasani, Deepak、Palit, Meehir、Dubey, Devendra K.、Gupta, Arvind K.

  DOI：——

  日期：——
• Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer
  申请人：Tsai Chih-Kuang

  公开号：US20080146733A1

  公开（公告）日：2008-06-19

  A method for hydrogenation of a conjugated diene polymer is provided. The conjugated diene polymer in an inert organic solvent is brought into contact with hydrogen in the presence of a hydrogenation catalyst composition to selectively hydrogenate the unsaturated double bonds in the conjugated diene units of the conjugated diene polymer. The hydrogenation catalyst composition includes: (a) a titanium compound; (b) a compound represented by formula (II) or formula (III): wherein R is C 1 -C 12 alkyl, C 3 -C 12 cycloalkyl, aryl or alkyl aryl, M is C 1 -C 12 alkyl, C 1 -C 12 alkoxy, aryl, alkyl aryl, phenoxy or hydroxyl, and n=1˜3; and (c) a alkylaluminum compound.