磷酸二氢辛酯 | 3991-73-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 中文名称: 磷酸二氢辛酯
• 英文名称: monooctylphosphoric acid
• 英文别名: Octyl dihydrogen phosphate
• CAS: 3991-73-9
• 化学式: C₈H₁₉O₄P
• 分子量: 210.21
• InChiKey: WRKCIHRWQZQBOL-UHFFFAOYSA-N

物化性质

• 沸点：
  328.4±25.0 °C(Predicted)
• 密度：
  1.053 g/cm3
• 物理描述：
  Octyl acid phosphate appears as a corrosive liquid. About the same density as water and insoluble in water. Noncombustible. May severely irritate skin, eyes, and mucous membranes. Contact should be avoided.

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  磷酸二氢辛酯 、 氯代十四烷 生成 phosphoric acid octyl ester tetradecyl ester
  参考文献：
  名称：

  The Preparation of Mixed Dialkyl Phosphates

  摘要：

  DOI：

  10.1055/s-1974-23458
• 作为产物：
  描述：

  辛基二氯膦酸酯 在 水 作用下， 生成 磷酸二氢辛酯
  参考文献：
  名称：

  GELLED HYDROCARBONS FOR OILFIELD PROCESSES, PHOSPHATE ESTER COMPOUNDS USEFUL IN GELLATION OF HYDROCARBONS AND METHODS FOR PRODUCTION AND USE THEREOF

  摘要：

  磷酸酯与金属源结合在一起用于凝胶化烃类物质，并公开了磷酸酯的制备方法。石油精炼塔中的结垢被归因于用于凝胶化油井压裂的磷酸酯中存在的杂质的蒸馏。改进的磷酸酯制备方法导致产品大幅减少或消除挥发性磷，即在250°C以下蒸馏的磷杂质，并增加使用磷酸酯形成的烃类凝胶的高温粘度。

  公开号：

  US20110046408A1

文献信息

• Chromonic nanoparticles containing bioactive compounds
  申请人：Mohanty Sanat

  公开号：US20070086965A1

  公开（公告）日：2007-04-19

  A chromonic nanoparticle mixture prepared by combining (i) a continuous water-soluble polymer phase and (ii) a discontinuous chromonic phase comprising a chromonic material; and non-covalently crosslinking the resulting chromonic nanoparticles with a polyvalent cation salt.

  通过将（i）连续的水溶性聚合物相和（ii）包含色相材料的不连续色相相结合制备的色相纳米颗粒混合物；并且用多价阳离子盐非共价交联所得的色相纳米颗粒。
• CARBONIC ACID ESTER AND MAGNETIC RECORDING MEDIUM
  申请人：IMAKUNI Akira

  公开号：US20080241599A1

  公开（公告）日：2008-10-02

  A carbonic acid ester is provided that is represented by the formula below and has a melting point of no greater than 0° C. (In the formula, R 1 and R 2 independently denote a saturated hydrocarbon group, R 1 is a branched chain, and R 2 is a straight or branched chain). There is also provided a magnetic recording medium that includes a non-magnetic support and, above the support, at least one magnetic layer including a ferromagnetic powder dispersed in a binder, the magnetic layer including the carbonic acid ester. Furthermore, there is provided a magnetic recording medium including a support and, above the support, a non-magnetic layer including a non-magnetic powder dispersed in a binder, and above the non-magnetic layer, at least one magnetic layer including a ferromagnetic powder dispersed in a binder, the non-magnetic layer and/or the magnetic layer including the carbonic acid ester.

  提供一种碳酸酯，其化学式如下，并且其熔点不大于0°C。（在化学式中，R1和R2分别表示饱和碳氢基团，R1是支链，R2是直链或支链）。还提供了一种磁记录介质，包括非磁性支撑物，在支撑物上方至少有一层包括铁磁粉末分散在粘合剂中的磁性层，该磁性层包括碳酸酯。此外，还提供了一种磁记录介质，包括支撑物，在支撑物上方有一层包括非磁性粉末分散在粘合剂中的非磁性层，以及在非磁性层上方，至少有一层包括铁磁粉末分散在粘合剂中的磁性层，其中非磁性层和/或磁性层包括碳酸酯。
• LPA receptor agonists and antagonists and methods of use
  申请人：——

  公开号：US20030130237A1

  公开（公告）日：2003-07-10

  The present invention relates to compounds according to formula (I) as disclosed herein as well as pharmaceutical compositions which include those compounds. Also disclosed are methods of using such compounds, which have activity as agonists or as antagonists of LPA receptors; such methods including inhibiting LPA activity on an LPA receptor, modulating LPA receptor activity, treating cancer, enhancing cell proliferation, treating a wound, treating apoptosis or preserving or restoring function in a cell, tissue, or organ, culturing cells, preserving organ or tissue function, and treating a dermatological condition.

  本发明涉及根据所述的化合物的化学式(I)，以及包括这些化合物的药物组合物。还公开了使用这些化合物的方法，这些方法具有作为LPA受体的激动剂或拮抗剂的活性；这些方法包括抑制LPA对LPA受体的活性，调节LPA受体的活性，治疗癌症，增强细胞增殖，治疗伤口，治疗凋亡或保护或恢复细胞、组织或器官的功能，培养细胞，保护器官或组织功能，以及治疗皮肤病症。
• ALKYL H-PHOSPHONATES OF N,N'-DIALKYLIMIDAZOLIUMS AND OF QUATERNARY AMMONIUMS AND USES THEREOF
  申请人：Nguyen Hoang-Phuong

  公开号：US20100121075A1

  公开（公告）日：2010-05-13

  The application relates to the use of a salt associating an ammonium cation with an alkyl H-phosphonate anion of the following formula (I) in which R is a hydrocarbon radical, the pointed bond can be present or not, the radical R 3 being then present or absent, as an ionic liquid. The ammonium cation is preferably an imidazolium cation. This ionic liquid is particularly useful in the field of green chemistry as a substitute for organic solvents. The application also relates to a method for preparing such a salt by the direct dealkylation of the corresponding dialkylphosphite by the appropriate nitrated base, in one step and without any solvent. The application also relates to a method for preparing mixed methylated phosphites.

  该申请涉及使用盐将氨基阳离子与以下式(I)中的烷基H-膦酸盐结合，其中R是一个碳氢基团，指示的键可以存在也可以不存在，基团R3则存在或不存在，作为离子液体。氨基阳离子最好是咪唑阳离子。这种离子液体在绿色化学领域中特别有用，可作为有机溶剂的替代品。该申请还涉及通过适当的硝基碱直接脱烷基化相应的二烷基膦酸酯来制备这种盐的方法，一步完成且无需任何溶剂。该申请还涉及制备混合甲基化膦酸酯的方法。
• Fatty Alcohol Phosphates are Subtype-Selective Agonists and Antagonists of Lysophosphatidic Acid Receptors
  作者：Tamas Virag、Don B. Elrod、Karoly Liliom、Vineet M. Sardar、Abby L. Parrill、Kazuaki Yokoyama、Gangadhar Durgam、Wenlin Deng、Duane D. Miller、Gabor Tigyi

  DOI：10.1124/mol.63.5.1032

  日期：2003.5.1

  A more complete understanding of the physiological and pathological role of lysophosphatidic acid (LPA) requires receptor subtype-specific agonists and antagonists. Here, we report the synthesis and pharmacological characterization of fatty alcohol phosphates (FAP) containing saturated hydrocarbon chains from 4 to 22 carbons in length. Selection of FAP as the lead structure was based on computational modeling as a minimal structure that satisfies the two-point pharmacophore developed earlier for the interaction of LPA with its receptors. Decyl and dodecyl FAPs (FAP-10 and FAP-12) were specific agonists of LPA2 (EC50 = 3.7 ± 0.2 μM and 700 ± 22 nM, respectively), yet selective antagonists of LPA3 ( K i = 90 nM for FAP-12) and FAP-12 was a weak antagonist of LPA1. Neither LPA1 nor LPA3 receptors were activated by FAPs; in contrast, LPA2 was activated by FAPs with carbon chains between 10 and 14. Computational modeling was used to evaluate the interaction between individual FAPs (8 to 18) with LPA2 by docking each compound in the LPA binding site. FAP-12 displayed the lowest docked energy, consistent with its lower observed EC50. The inhibitory effect of FAP showed a strong hydrocarbon chain length dependence with C12 being optimum in the Xenopus laevis oocytes and in LPA3-expressing RH7777 cells. FAP-12 did not activate or interfere with several other G-protein-coupled receptors, including S1P-induced responses through S1P1,2,3,5 receptors. These data suggest that FAPs are ligands of LPA receptors and that FAP-10 and FAP-12 are the first receptor subtype-specific agonists for LPA2.

  对溶血磷脂酸（LPA）的生理和病理作用进行更全面的理解，需要针对不同受体亚型的激动剂和拮抗剂。本文报道了含有4至22个碳的饱和碳氢链的脂肪醇磷酸盐（FAP）的合成和药理学特性。选择FAP作为主要结构是基于计算模型，该模型以满足先前为LPA与其受体相互作用而开发的两点药效团的最小结构为基础。癸基和十二烷基FAP（FAP-10和FAP-12）分别是LPA2的特异性激动剂（EC50分别为3.7±0.2μM和700±22nM），同时也是LPA3的选择性拮抗剂（FAP-12的K i为90nM），而FAP-12对LPA1是弱的拮抗剂。FAP既不能激活LPA1也不能激活LPA3受体；相反，LPA2被含10至14个碳链的FAP激活。通过计算模拟，将每个化合物对接在LPA结合位点，来评估单个FAP（8至18）与LPA2的相互作用。FAP-12显示最低的对接能，与其较低的观察EC50一致。FAP的抑制效应显示出强烈的碳氢链长度依赖性，在非洲爪蟾卵母细胞和表达LPA3的RH7777细胞中，C12是最适长度。FAP-12未激活或干扰包括S1P1,2,3,5受体介导的S1P反应在内的几个其他G蛋白偶联受体。这些数据表明FAP是LPA受体的配体，且FAP-10和FAP-12是首批针对LPA2受体亚型的特异性激动剂。

表征谱图