2-propynyl 2-(diethoxyphosphoryl)acetate | 1350883-11-2

• 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: 2-propynyl 2-(diethoxyphosphoryl)acetate
• 英文别名: 2-Propynyl 2-(diethoxyphosphoryl)acetate；prop-2-ynyl 2-diethoxyphosphorylacetate
• CAS: 1350883-11-2
• 化学式: C₉H₁₅O₅P
• 分子量: 234.189
• InChiKey: BYXGTJQWDSWRAG-UHFFFAOYSA-N

物化性质

• 沸点：
  328.8±22.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-propynyl 2-(diethoxyphosphoryl)acetate 、 苄基叠氮 在 triethylphosphite copper(I) iodide complex 作用下， 以 苯 为溶剂， 反应 168.0h， 以64.1%的产率得到C₁₆H₂₂N₃O₅P
  参考文献：
  名称：

  Synthesis and properties of new triazole methanofullerenes under the “click-chemistry” conditions

  摘要：

  该研究首次采用 "点击化学 "方法合成了富勒烯的 1,2,3-三唑新衍生物，为研究其生物活性以及在其基础上制备含富勒烯的新材料带来了希望。通过 MALDI-TOF 质谱法和高效液相色谱法确认了合成化合物的纯度和组成，并结合二维核磁共振同核和异核相关性确认了它们的结构。

  DOI：

  10.1007/s11172-012-0159-6
• 作为产物：
  描述：

  propargyl monobromoacetate 、 亚磷酸三乙酯 以 乙腈 为溶剂， 反应 0.5h， 以95%的产率得到2-propynyl 2-(diethoxyphosphoryl)acetate
  参考文献：
  名称：

  [EN] TRIFUNCTIONAL ADDITIVES FOR ELECTROLYTE COMPOSITION FOR LITHIUM BATTERIES
  [FR] ADDITIFS TRIFONCTIONNELS POUR COMPOSITION ÉLECTROLYTIQUE POUR BATTERIES AU LITHIUM

  摘要：

  一种电解质组合物，包含（i）至少一种无水有机溶剂；（ii）至少一种导电盐；（iii）至少一种化学式（I）的化合物；和（iv）可选地一种或多种添加剂。

  公开号：

  WO2018134251A1

文献信息

• NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20150372349A1

  公开（公告）日：2015-12-24

  The present invention provides a nonaqueous electrolytic solution capable of improving electrochemical characteristics in the case of using an energy storage device at a high temperature and further capable of inhibiting the gas generation as well as a capacity retention rate after a high-temperature cycle, and also to provide an energy storage device using the same. Disclosed are a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a phenyl ester compound represented by the following general formula (I), and an energy storage device. (In the formula, R f represents a fluoroalkyl group having 1 to 6 carbon atoms; X represents a halogen atom; each of p and q is an integer of 1 to 4; and (p+q) is 5 or less. A has a structure represented by —S(═O) 2 —, —C(═O)—, —C(═O)—O—, —C(═O)-L 1 -C(═O)—, —C(═O)-L 2 -P(═O)(OR)—O—, or —P(═O)(OR)—O—. Y represents a fluorine atom, a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group; L 1 represents an alkylene group, an alkenylene group, an alkynylene group, or a direct bond; L 2 represents an alkylene group; and R represents an alkyl group. However, only when A is —S(═O) 2 —, Y may be a fluorine atom; and only when A is —C(═O)—, Y may be a hydrogen atom. At least one hydrogen atom in each group of the aforementioned alkyl group, alkenyl group, alkynyl group, aryl group, alkylene group, alkenylene group, and alkynylene group may be substituted with a halogen atom.)

  本发明提供了一种非水电解质溶液，能够在高温下使用能量存储装置时改善电化学特性，并且在高温循环后能够抑制气体生成以及保持容量保留率，还提供了使用该非水电解质溶液的能量存储装置。所述非水电解质溶液包含溶解在非水溶剂中的电解质盐，该非水电解质溶液包含下述通式（I）所代表的苯酯化合物，以及能量存储装置。（在该式中，Rf代表具有1至6个碳原子的氟烷基；X代表卤素原子；p和q中的每一个是1至4的整数；以及（p+q）不超过5。A具有由—S(═O)2—、—C(═O)—、—C(═O)—O—、—C(═O)-L1-C(═O)—、—C(═O)-L2-P(═O)(OR)—O—或—P(═O)(OR)—O—表示的结构。Y代表氟原子、氢原子、烷基、烯基、炔基或芳基；L1代表烷基、烯基、炔基或直链键；L2代表烷基；R代表烷基。但是，仅当A为—S(═O)2—时，Y可以是氟原子；仅当A为—C(═O)—时，Y可以是氢原子。上述烷基、烯基、炔基、芳基、烷基、烯基和炔基中的每一组中至少一个氢原子可以被卤素原子取代。）
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20170275311A1

  公开（公告）日：2017-09-28

  The present invention is concerned with a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a compound represented by the following general formula (X), in which a polar group (X) is bound to a phosphorus atom (P), and capable of improving electrochemical characteristics in a broad temperature range; an energy storage device using the same; and a novel compound. In the formula, R 10 and R 20 are each independently an organic group selected from the group consisting of an alkyl group having 1 to 8 carbon atoms, an alkenyl group having 2 to 6 carbon atoms, an alkynyl group having 3 to 6 carbon atoms, and an aryl group having 6 to 12 carbon atoms, or a lithium atom; and X is a polar group (i) containing a —C(═O) group, a —P(═O) group, or an —S(═O) 2 group, a polar group (ii) containing a —CN group or an alkyl group having 1 to 6 carbon atoms, in which a part of hydrogen atoms is substituted with a fluorine atom, or a 4- to 7-membered ring polar group (iii) containing a —C(═O)—O— group or a —C(═O)—N— group, provided that when X is a 4- to 7-membered ring polar group (iii) containing a —C(═O)—N— group, at least one of R 10 and R 20 is a lithium atom.

  本发明涉及一种非水电解质溶液，其中电解质盐溶解在非水溶剂中，该非水电解质溶液含有以下通式（X）所代表的化合物，其中极性基（X）与磷原子（P）结合，并能够改善广泛温度范围内的电化学特性；使用该非水电解质溶液的储能装置；以及一种新化合物。在该公式中，R10和R20分别独立地是从包括具有1至8个碳原子的烷基基团、具有2至6个碳原子的烯基基团、具有3至6个碳原子的炔基基团和具有6至12个碳原子的芳基基团或锂原子中选择的有机基团；X是一个极性基（i），其中包含一个—C(═O)基团、一个—P(═O)基团或一个—S(═O)2基团，一个极性基（ii），其中包含一个—CN基团或一个具有1至6个碳原子的烷基基团，其中部分氢原子被氟原子取代，或一个4至7环极性基（iii），其中包含一个—C(═O)—O—基团或一个—C(═O)—N—基团，但当X是一个包含一个—C(═O)—N—基团的4至7环极性基（iii）时，至少一个R10和R20是锂原子。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210246098A1

  公开（公告）日：2021-08-12

  An electrolyte solution containing a compound represented by the following formula (1). In the formula, Rf 101 is CF 3 —, CF 2 H—, or CFH 2 —, and R 101 is an optionally fluorinated C2-C5 alkenyl group or an optionally fluorinated C2-C8 alkynyl group and optionally contains Si in a structure:

  含有以下公式（1）所代表的化合物的电解质溶液。在该公式中，Rf101是CF3—、CF2H—或CFH2—，而R101是一个可选择氟化的C2-C5烯基或一个可选择氟化的C2-C8炔基，并且在结构中可含有Si。