dibutyl 2-oxopropanephosphonate | 59568-77-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: dibutyl 2-oxopropanephosphonate
• 英文别名: dibutyl (2-oxopropyl)phosphonate；2-Oxopropan-1-phosphonsaeure-di-n-butylester；acetonyl-phosphonic acid dibutyl ester；Acetonyl-phosphonsaeure-dibutylester；1-Dibutoxyphosphorylpropan-2-one
• CAS: 59568-77-3
• 化学式: C₁₁H₂₃O₄P
• 分子量: 250.275
• InChiKey: SRFNZYLSUDZGCH-UHFFFAOYSA-N

物化性质

• 沸点：
  149-150 °C(Press: 11 Torr)
• 密度：
  1.0152 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dibutyl 2-oxopropanephosphonate 在 sodium ethanolate 作用下， 生成 [1-Acetyl-1-(2-cyano-ethyl)-but-3-ynyl]-phosphonic acid dibutyl ester
  参考文献：
  名称：

  Pudovik,A.N.; Khusainova,N.G., Journal of general chemistry of the USSR, 1970, vol. 40, p. 1403 - 1404

  摘要：

  DOI：
• 作为产物：
  描述：

  二-N-甲烷膦酸酯 在 正丁基锂 、 baker's yeast (Saccharomyces cerevisiae) 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 29.5h， 生成 dibutyl 2-oxopropanephosphonate
  参考文献：
  名称：

  面包酵母对 2-keto-3-haloalkane 膦酸酯的对映选择性还原

  摘要：

  面包酵母对 3-取代-2-氧代烷烃膦酸酯进行生物还原，以中等至良好的产率和 ee 值提供 3-取代-2-羟基-烷烃膦酸酯。这些化合物可用作立体选择性合成生物活性分子的磷类似物的有用chiron，包括R-(-)-3-trimethylamine-2-hydroxypropanoic酸和R-(-)-3-trimethylamine-2-hydroxypropanoic acid。© 2001 John Wiley & Sons, Inc. 杂原子化学 12:551–556, 2001

  DOI：

  10.1002/hc.1084

文献信息

• Les α-cuprophosphonates—iii
  作者：F. Mathey、Ph. Savignac

  DOI：10.1016/0040-4020(78)88099-5

  日期：1978.1

  A new, practical, synthesis of β-ketophosphonates relying on the conversion of the organolithium reagent from a dialkyl methylphosphonate into the corresponding organocopper reagent, and its reaction with acyl chlorides is described. The structure of the intermediate organocopper reagents is discussed.

  描述了一种新的，实用的β-酮膦酸酯的合成方法，该方法依赖于有机锂试剂从甲基膦酸二烷基酯转化为相应的有机铜试剂，以及其与酰氯的反应。讨论了中间体有机铜试剂的结构。
• 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。）
• Silver-Catalyzed Oxidative C(sp³ )−P Bond Formation through C−C and P−H Bond Cleavage
  作者：Lili Li、Wenbin Huang、Lijin Chen、Jiaxing Dong、Xuebing Ma、Yungui Peng

  DOI：10.1002/anie.201704910

  日期：2017.8.21

  The silver‐catalyzed oxidative C(sp3)−H/P−H cross‐coupling of 1,3‐dicarbonyl compounds with H‐phosphonates, followed by a chemo‐ and regioselective C(sp3)−C(CO) bond‐cleavage step, provided heavily functionalized β‐ketophosphonates. This novel method based on a readily available reaction system exhibits wide scope, high functional‐group tolerance, and exclusive selectivity.

  1,3-二羰基化合物与H-膦酸酯的银催化氧化C（sp 3）-H / PH交叉偶联，随后是化学和区域选择性C（sp 3）-C（CO）键-裂解步骤，提供功能强大的β-酮膦酸酯。这种基于现成反应系统的新颖方法具有广泛的应用范围，较高的官能团耐受性和选择性。
• Enantioselective Reduction of 2-Ketoalkanephosphonate by Baker's Yeast
  作者：Ke Wang、Zuyi Li、Chengye Yuan

  DOI：10.1080/10426500212307

  日期：2002.6.1

  2-oxo-3-halo (or azido) alkanephosphonates and 4-ethoxy-4,2-dioxobutanephosphonates by baker's yeast afforded 3-substituted 2-hydroxyalkanephosphonates in moderate to good yields and ee value. Moreover, a regio- and stereoselective bioreduction of 2,3-dioxoalkanephosphonates and 2,4-dioxoalkanephosphonates by baker's yeast was studied also. The resulting chiral hydroxy compounds can be used as chirons for

  面包酵母对 2-oxo-3-halo（或叠氮基）烷烃膦酸盐和 4-ethoxy-4,2-dioxobutanephosphonates 进行生物还原，以中等至良好的产率和 ee 值提供了 3-取代的 2-羟基烷烃膦酸盐。此外，还研究了面包酵母对 2,3-二氧代烷烃膦酸盐和 2,4-二氧代烷烃膦酸盐的区域和立体选择性生物还原。所得手性羟基化合物可用作立体选择性合成生物活性分子的chiron。
• ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS
  申请人：MICURX PHARMACEUTICALS, INC.

  公开号：US20160185823A1

  公开（公告）日：2016-06-30

  The present invention provides antimicrobial polymyxin compounds of the following formula I: or pharmaceutically acceptable salts, hydrates, or solvates thereof that are antibacterial agents, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明提供以下式I的抗微生物多粘菌素化合物或其药学上可接受的盐、水合物或溶剂化物，它们是抗菌剂，包含它们的制药组合物，使用它们的方法以及制备这些化合物的方法。