tert-butyl chlorodiethylphosphonoacetate | 159377-41-0

• 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: tert-butyl chlorodiethylphosphonoacetate
• 英文别名: (1,1-dimethylethyl) chloro(diethoxyphosphinyl)acetate；Acetic acid, chloro(diethoxyphosphinyl)-, 1,1-dimethylethyl ester；tert-butyl 2-chloro-2-diethoxyphosphorylacetate
• CAS: 159377-41-0
• 化学式: C₁₀H₂₀ClO₅P
• 分子量: 286.693
• InChiKey: MITKXERVQIXDAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  tert-butyl chlorodiethylphosphonoacetate 、 1-Benzenesulfonyl-4,6-dichloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以68%的产率得到1-benzenesulfonyl-3-(2-tert-butoxycarbonyl-2-chlorovinyl)-4,6-dichloroindole-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  New Synthesis of Substituted 2-Carboxyindole Derivatives: Versatile Introduction of a Carbamoylethynyl Moiety at the C-3 Position

  摘要：

  A novel series of 3-carbamoylethynyl-2-carboxyindoles, antagonists acting at the strychnine-insensitive glycine binding site associated with the NMDA receptor, has been synthesised. This new versatile approach involves the introduction of a 2-chloroethenyl moiety in position C-3 with subsequent derivatisation of the terminal carboxyl group, followed by an unusual elimination of HCl to afford the ethynyl functionality. This novel series of glycine antagonists was evaluated in terms of in vitro affinity at the glycine bindings site and the most potent compound was tested in vivo in the NMDA-induced convulsions model in mice.

  DOI：

  10.1002/(sici)1521-4184(19993)332:2<55::aid-ardp55>3.0.co;2-z
• 作为产物：
  描述：

  (1,1-dimethylethyl) dichloro(diethoxyphosphinyl)acetate 在 sodium sulfite 作用下， 以 乙醇 、 水 为溶剂， 生成 tert-butyl chlorodiethylphosphonoacetate
  参考文献：
  名称：

  Heterocyclic dihydrazole compounds and their use for controlling fungal

  摘要：

  公式I的化合物及其N-氧化物和农业适用的盐被披露，可用作杀菌剂。在上述公式中，E是从某些5-至12-成员单环和融合的双环芳香杂环环系统中选择的环系统，或者是如披露中定义的可选择取代的萘环；A是O；S；N；NR^5；或CR^14；G是C或N；但要求当G为C时，A为O、S或NR^5且浮动双键连接到G；当G为N时，A为N或CR^14且浮动双键连接到A；W是O；S；NH；N(C_1-C_6烷基)；或NO(C_1-C_6烷基)；X是OR^1；S(O)_mR^1；或卤素；R^1是C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；或C_2-C_4烷氧羰基；R^2是H；C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；C_2-C_4烷氧羰基；羟基；C_1-C_2烷氧基；或乙酰氧基；R^5是H；C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；或C_2-C_4烷氧羰基；Y、Z、R^14和m如披露中所定义。还披露了含有公式I化合物的组合物以及一种用于控制由真菌植物病原体引起的植物疾病的方法，该方法涉及施用公式I的化合物的有效量。

  公开号：

  US06096895A1

文献信息

• Substituted ortho-ethenylphenylacetic acid derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US05633268A1

  公开（公告）日：1997-05-27

  Compounds of the formula I ##STR1## where the index and the substituents have the following meanings as defined in the specification.

  化合物的公式为I ##STR1##，其中指数和取代基的含义如规范中定义的那样。
• Heterocyclic dihydrazole compounds and their use for controlling fungal
  申请人：E. I. du Pont de Nemours and Company

  公开号：US06096895A1

  公开（公告）日：2000-08-01

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful as fungicides ##STR1## In said formula, E is a ring system selected from certain 5- to 12-membered monocyclic and fused bicyclic aromatic heterocyclic ring systems, or an optionally substituted naphthalene ring as defined in the disclosure; A is O; S; N; NR.sup.5 ; or CR.sup.14 ; G is C or N; provided that when G is C, then A is O, S or NR.sup.5 and the floating double bond is attached to G; and when G is N, then A is N or CR.sup.14 and the floating double bond is attached to A; W is O; S; NH; N(C.sub.1 -C.sub.6 alkyl); or NO(C.sub.1 -C.sub.6 alkyl); X is OR.sup.1 ; S(O).sub.m R.sup.1 ; or halogen; R.sup.1 is C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; or C.sub.2 -C.sub.4 alkoxycarbonyl; R.sup.2 is H; C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; C.sub.2 -C.sub.4 alkoxycarbonyl; hydroxy; C.sub.1 -C.sub.2 alkoxy; or acetyloxy; R.sup.5 is H; C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; or C.sub.2 -C.sub.4 alkoxycarbonyl; and Y, Z, R.sup.14 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula I.

  公式I的化合物及其N-氧化物和农业适用的盐被披露，可用作杀菌剂。在上述公式中，E是从某些5-至12-成员单环和融合的双环芳香杂环环系统中选择的环系统，或者是如披露中定义的可选择取代的萘环；A是O；S；N；NR^5；或CR^14；G是C或N；但要求当G为C时，A为O、S或NR^5且浮动双键连接到G；当G为N时，A为N或CR^14且浮动双键连接到A；W是O；S；NH；N(C_1-C_6烷基)；或NO(C_1-C_6烷基)；X是OR^1；S(O)_mR^1；或卤素；R^1是C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；或C_2-C_4烷氧羰基；R^2是H；C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；C_2-C_4烷氧羰基；羟基；C_1-C_2烷氧基；或乙酰氧基；R^5是H；C_1-C_6烷基；C_1-C_6卤代烷基；C_2-C_6烯基；C_2-C_6卤代烯基；C_2-C_6炔基；C_2-C_6卤代炔基；C_3-C_6环烷基；C_2-C_4烷基羰基；或C_2-C_4烷氧羰基；Y、Z、R^14和m如披露中所定义。还披露了含有公式I化合物的组合物以及一种用于控制由真菌植物病原体引起的植物疾病的方法，该方法涉及施用公式I的化合物的有效量。
• Substituted Indole-2-carboxylates as Potent Antagonists of the Glycine Binding Site Associated with the NMDA Receptor
  作者：Fabrizio Micheli、Romano Di Fabio、Davide Baraldi、Nadia Conti、Alfredo Cugola、Paola Gastaldi、Simone Giacobbe、Carla Marchioro、Manolo Mugnaini、Luciana Rossi、Angelo Pecunioso、Giorgio Pentassuglia

  DOI：10.1002/(sici)1521-4184(19998)332:8<271::aid-ardp271>3.0.co;2-x

  日期：1999.8

  A novel series of indole-2-carboxylate analogues of GV 150526 (1) in which the propenoic double bond was substituted with different "probes" or replaced by a isosteric cyclopropyl moiety were synthesized and evaluated for their affinity profile in order to obtain further information on the pharmacophoric model of the glycine binding site associated to the NMDA receptor.
• US06057352
  申请人：——

  公开号：——

  公开（公告）日：——
• FUNGICIDAL CYCLIC AMIDES
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0825992A1

  公开（公告）日：1998-03-04