癸基二氢磷酸酯 | 3921-30-0

• 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: 癸基二氢磷酸酯
• 英文名称: Monodecyl phosphate
• 英文别名: Decyl dihydrogen phosphate
• CAS: 3921-30-0
• 化学式: C₁₀H₂₃O₄P
• 分子量: 238.264
• InChiKey: SCIGVHCNNXTQDB-UHFFFAOYSA-N

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：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2919900090

反应信息

• 作为反应物：
  描述：

  癸基二氢磷酸酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 monosodium decyl phosphate
  参考文献：
  名称：

  磷酸癸基钠和十二烷基硫酸钠胶束溶液中指示剂平衡的定量处理

  摘要：

  DOI：

  10.1021/j100327a027
• 作为产物：
  描述：

  癸醇 在 吡啶 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以86%的产率得到癸基二氢磷酸酯
  参考文献：
  名称：

  [EN] ORGANOPHOSPHATE DERIVATIVES
  [FR] DÉRIVÉS D'ORGANOPHOSPHATE

  摘要：

  本文提供了有机磷化合物和包含该类化合物的药物组合物。

  公开号：

  WO2019027905A1

文献信息

• [EN] 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES<br/>[FR] ESTERS D'ACIDE 6H-PYRROLO[3,2-B:4,5-B']BIS [1,4] BENZOTHIAZINE-6 CARBOXYLIQUE COMME MATÉRIAUX SEMI-CONDUCTEURS UTILES DANS DES DISPOSITIFS ÉLECTRONIQUES
  申请人：BASF SE

  公开号：WO2016096967A1

  公开（公告）日：2016-06-23

  The present invention provides compounds of formula (I) wherein X is O, S or NR10,wherein R10 is H, C1-30-alkyl, substituted C1-30-alkyl, C2-30-alkenyl, substituted C2-30-alkenyl, C2-30-alkynyl, substituted C2-30-alkynyl or C(0)-OR11, R1 and R11 are independently from each other selected from the group consisting of C1-30-alkyl, substituted C1-30-alkyl, C2-30-alkenyl, substituted C2-30-alkenyl, C2-30-alkynyl, substituted C2-30-alkynyl, C5-8-cycloalkyl, substituted C5-8-cycloalkyl, C5-8-cycloalkenyl, and substituted C5-8-cycloalkenyl, and an electronic device comprising the compounds as semiconducting material.

  本发明提供了式(I)的化合物，其中X为O、S或NR10，其中R10为H、C1-30-烷基、取代的C1-30-烷基、C2-30-烯基、取代的C2-30-烯基、C2-30-炔基、取代的C2-30-炔基或C(0)-OR11，R1和R11分别独立地选自C1-30-烷基、取代的C1-30-烷基、C2-30-烯基、取代的C2-30-烯基、C2-30-炔基、取代的C2-30-炔基、C5-8-环烷基、取代的C5-8-环烷基、C5-8-环烯基和取代的C5-8-环烯基的群组，以及包括这些化合物作为半导体材料的电子设备。
• 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。
• Preparation and structure of n-alkyl ester derivatives of zirconium bis (monohydrogen orthophosphate) dihydrate with a layer structure
  作者：Shoji Yamanaka、Makoto Matsunaga、Makoto Hattori

  DOI：10.1016/0022-1902(81)80040-1

  日期：1981.1

  Zirconium bis (monohydrogen orthophosphate) dihydrate with a layer structure, called γ-zirconium phosphate, has been heated with phosphoric acid esters of n-alkyl alcohols [n-CnH2n+1OPO3H2 (n = 1 ∼ 18)] under reflux in a mixture of water and acetone. Half of the interlayer monohydrogen orthophosphate groups are exchanged with a phosphate esters. Only monoesters are involved in the exchange even though

  具有层状结构的双（正磷酸一氢）锆二水合物，称为γ-磷酸锆，已与正烷基醇[ n -C n H 2 n +1 OPO 3 H 2（n = 1〜18）的磷酸酯一起加热）]在水和丙酮的混合物中回流。一半的层间正磷酸单氢基团被磷酸酯交换。即使单酯和二酯的混合物用于回流，也只有单酯参与交换。X射线和电子显微镜检查表明，在反应过程中，γ-磷酸锆的层构架没有变化，而基间距（d001）随着磷酸酯烷基链中碳原子数（n）的增加而增加。的情节d 001 VS Ñ由两个线性关系的斜率，其中对于2.43和1.42埃/碳原子的Ñ ⩽4和Ñ分别⩾5。当所获得的化合物溶胀具有Ñ具有烷基链的那些交换磷酸酯类中的相同长度的烷基醇，所述基面间距的增加而线性与单斜率2.43埃/碳原子。斜率的变化归因于磷酸盐层之间烷基链的排列的变化，并且与聚乙烯晶体的结构进行了讨论。
• ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND ELECTROCHROMIC ELEMENT
  申请人：Goto Daisuke

  公开号：US20180208834A1

  公开（公告）日：2018-07-26

  An electrochromic compound represented by the following formula (1) is provided: where each of R 1 to R 9 and Ar 1 to Ar 6 independently represents one of a hydrogen atom, a halogen atom, a monovalent organic group, a group in which two or more aryl and/or heteroaryl groups are bound to each other via a covalent bond, a group in which two or more aryl and/or heteroaryl groups are condensed with each other to form a ring, and a polymerizable functional group; and at least one of Ar 1 to Ar 6 represents an aryl group, a heteroaryl group, a group in which two or more aryl and/or heteroaryl groups are bound to each other via a covalent bond, or a group in which at least two aryl or heteroaryl groups are condensed with each other to form a ring.

  提供以下式（1）所表示的一个电致变色化合物：其中R1至R9和Ar1至Ar6中的每一个独立表示氢原子、卤原子、一价有机基团、通过共价键相互连接的两个或更多芳基和/或杂环芳基组成的基团、通过共价键相互连接的两个或更多芳基和/或杂环芳基组成的环、以及可聚合的功能基团；并且Ar1至Ar6中至少有一个表示芳基、杂环芳基、通过共价键相互连接的两个或更多芳基和/或杂环芳基组成的基团，或者至少有两个芳基或杂环芳基通过共价键相互连接形成环。
• Synthesis of Alkyl Dihydrogenphosphate by the Reaction of Alcohols and Silyl Polyphosphate
  作者：Yoshiki Okamoto

  DOI：10.1246/bcsj.58.3393

  日期：1985.11

  Alkyl dihydrogenphosphates were readily prepared by phosphorylation of alcohols with trimethylsilyl polyphosphate or polyphosphorylated silica-gel.

  烷基二氢磷酸酯可通过与三甲基硅基多磷酸盐或多磷酸化硅胶对醇进行磷酸化而易于制备。