diethyl-1-methyl-1-cyanoethyl Phosphate | 14540-36-4

• 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
• 英文名称: diethyl-1-methyl-1-cyanoethyl Phosphate
• 英文别名: 2-cyanopropan-2-yl diethyl phosphate；Phosphorsaeure-diethylester-<α-cyan-isopropylester>；Diethyl-<1-cyan-1-methyl-ethyl>-phosphat
• CAS: 14540-36-4
• 化学式: C₈H₁₆NO₄P
• 分子量: 221.193
• InChiKey: OMOGWHBGYSIUKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氯磷酸二乙酯 、 丙酮氰醇 在 吡啶 作用下， 生成 diethyl-1-methyl-1-cyanoethyl Phosphate
  参考文献：
  名称：

  Phosphoric esters containing a cyano group

  摘要：

  DOI：

  10.1007/bf00845305

文献信息

• Synthesis of Phosphorocyanidates via Phosphorochloridates
  作者：Enxue Shi、Chengxin Pei

  DOI：10.1080/10426500307856

  日期：2003.5.1

  Dialkyl phosphorocyanidates ( 2 ) were obtained from dialkyl phosphorochloridates ( 1 ) in high yield (80-86%) at room temperature in methyl cyanide. Reaction between diethyl phosphorochloridate and potassium cyanide was greatly influenced by the solvents used. Tetraethyl pyrophosphate also was found to react with potassium cyanide to give diethyl phosphorocyanidate in methyl cyanide.

  在室温下在甲基氰化物中以高产率（80-86%）从二烷基磷酰氯（1）获得二烷基磷氰（2）。所用溶剂极大地影响了二乙基氯化磷和氰化钾之间的反应。还发现焦磷酸四乙酯与氰化钾反应，在甲基氰化物中得到磷酸二乙酯。
• Therapeutic uses of PPAR mediators
  申请人：——

  公开号：US20030220373A1

  公开（公告）日：2003-11-27

  Use of PPAR mediators, and their pharmaceutical compositions, as ATP binding cassette transporter 1 (ABC-1) expression modulators, wherein the PPAR ligand receptor agonists of this invention are useful as inducers of ABC-1 expression.

  使用PPAR介质及其制药组合物作为ATP结合盒转运蛋白1（ABC-1）表达调节剂，本发明的PPAR配体受体激动剂可作为ABC-1表达的诱导剂。
• IMPROVED SYNTHESIS OF CYANOHYDRIN PHOSPHATES AND ITS REACTION MECHANISM
  作者：Enxue Shi、Junhua Xiao、Chengxin Pei

  DOI：10.1080/10426500490463501

  日期：2004.7.1

  Cyanohydrin phosphates 2a–2c were prepared in high yield from ketones (or aldehyde), diethyl phosphorochloridate, and sodium cyanide by using acetonitrile as solvent. GC analysis proved that the two reactions of cyanohydrin sodium with diethyl phosphorochloridate and with diethyl phosphorocyanidate resulted in the formation of cyanohydrin phosphates.

  通过使用乙腈作为溶剂，从酮（或醛）、二乙基磷酰氯和氰化钠以高产率制备氰醇磷酸盐 2a-2c。GC分析证明氰醇钠与磷酸二乙酯和氰化磷酸二乙酯的两个反应导致氰醇磷酸酯的形成。
• Novel phosphorous esters of cyanohydrins, pesticidal compositions including same, and methods of controlling pests using same
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0044214A2

  公开（公告）日：1982-01-20

  Novel phosphorous. esters of cyanohydrins which exhibit outstanding pesticidal activity. A method of controlling pests by subjecting the pests to a pesticidally active amount of a compound of this invention is also covered. The esters have the general formula: wherein X is 0 or S; R and R1 are the same or different and are independently hydrogen, lower alkyl (C1-C15), whereby C3-C15 can be branched or unbranched, and wherein the alkyl chain can be substituted or unsubstituted with alkylthio, alkoxy, or one or more halo; cycloalkyl (C3-C8), alkenyl, phenyl, benzyl, pyridinyl, pyrimidinyl, furanyl, pyranyl, naphthalene, thiophene. all of which may be optionally substituted with one or more halogen, nitro, cyano, allyloxy, trihalomethyl, alkyl, alkylthio, alkoxy, or aryloxy, aryloxy alkyl, which can be further substituted with alkoxy, halogen, alkyl, or trihalomethyl groups; taken together R and R, may form a 5 or 6 membered carbocyclic ring. R2 and R3 can be the same or different and are independently: a) alkyl (C1-C10), b) alkylthio (C,-Ca), c) haloalkyl (C1-C8), d) alkoxy (C1-C8) with the proviso that R2 and R3 may not be alkoxy at the same time, e) alkyl or dialkyl amino (CI-Ca). f) phenyl or benzyl which can be optionally substituted with one or more nitro, cyano, halogen, trihalomethyl, alkyl, alkoxy, alkylthio or aryloxy, g) thioaromatic radicals, and h) oxyaromatic radicals.

  新颖的氰醇磷酯，具有出色的杀虫活性。本发明还涉及一种通过使害虫接触具有杀虫活性的本发明化合物来控制害虫的方法。 这些酯具有通式： 其中 X 为 0 或 S； R和R1相同或不同，且独立地为氢、低级烷基（C1-C15），其中C3-C15可以是支链或非支链，且其中烷基链可以被烷硫基、烷氧基或一个或多个卤素取代或未被取代；环烷基（C3-C8）、烯基、苯基、苄基、吡啶基、嘧啶基、呋喃基、吡喃基、萘基、噻吩基。所有这些基团均可任选被一个或多个卤素、硝基、氰基、烯丙基氧基、三卤甲基、烷基、烷硫基、烷氧基或芳氧基、芳氧基烷基取代，后者可进一步被烷氧基、卤素、烷基或三卤甲基取代；R 和 R 合在一起可形成一个 5 或 6 个成员的碳环。 R2 和 R3 可以相同或不同，且各自独立： a) 烷基（C1-C10）、 b) 烷硫基（C,-Ca）、 c) 卤代烷基（C1-C8）、 d) 烷氧基（C1-C8），但 R2 和 R3 不得同时为烷氧基、 e) 烷基或二烷基氨基（CI-Ca） f) 苯基或苄基，可任选被一个或多个硝基、氰基、卤素、三卤甲基、烷基、烷氧基、烷硫基或芳氧基取代、 g) 硫代芳香族基，以及 h) 氧芳基。
• Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same
  申请人：RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC.

  公开号：EP0315399A2

  公开（公告）日：1989-05-10

  This invention relates to quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same. The quinoline derivatives of the invention are a particular class of quinolinyl-diaryl compounds and they are especially valuable as lipoxygenase inhibitors and/or leukotriene antagonists, typically antagonists of leukotriene D4, possessing anti-inflammatory and anti-allergic properties.

  本发明涉及喹啉衍生物、它们在治疗过敏性疾病中的用途以及含有喹啉衍生物的药物组合物。 本发明的喹啉衍生物是一类特殊的喹啉基二元化合物，它们作为脂氧合酶抑制剂和/或白三烯拮抗剂（通常是白三烯 D4 拮抗剂）特别有价值，具有抗炎和抗过敏特性。