diethyl isobutylphosphonate | 50655-63-5

• 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: diethyl isobutylphosphonate
• 英文别名: diethyl (2-methylpropyl)phosphonate；Diethyl-(2-methylpropyl)phosphonat；Diethyl-2-methylpropylphosphonat；O,O-dimethyl isobutylphosphonate；isobutyl-phosphonic acid diethyl ester；Isobutyl-phosphonsaeure-diaethylester；1-diethoxyphosphoryl-2-methylpropane
• CAS: 50655-63-5
• 化学式: C₈H₁₉O₃P
• 分子量: 194.211
• InChiKey: KWVBQQBRIUYFSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  diethyl isobutylphosphonate 在 五氯化磷 、 三氯氧磷 作用下， 反应 4.0h， 以83%的产率得到isobutyl-phosphonic acid-dichloride
  参考文献：
  名称：

  Patois, C.; Berte-Verrando, S.; Savignac, P., Bulletin de la Societe Chimique de France, 1993, vol. 130, p. 485 - 487

  摘要：

  DOI：
• 作为产物：
  描述：

  在 oxonium 作用下， 以75%的产率得到diethyl isobutylphosphonate
  参考文献：
  名称：

  转化指导原则

  摘要：

  DOI：

  10.1016/s0040-4039(00)95740-x

文献信息

• HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150245616A1

  公开（公告）日：2015-09-03

  Herbicidally and fungicidally active 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), X, X 2 to X 6 , R 1 to R 4 are radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的5-氧代取代的3-苯基异噁唑啉-5-羧酰胺和5-氧代取代的3-苯基异噁唑啉-5-硫酰胺的化合物如下式（I）所述。 在这个式子（I）中，X，X2至X6，R1至R4是氢、卤素和有机基团，如取代烷基等。A是一个键或二价基团。Y是硫族元素。
• Process for the preparation of phosphonic acid dihalides
  申请人：Hoechst Aktiengesellschaft

  公开号：US03972923A1

  公开（公告）日：1976-08-03

  Process for preparing phosphonic acid dihalides of the formula ##EQU1## wherein R is alkyl of 1 to 18 carbon atoms, cycloalkyl of 4 to 8 carbon atoms, alkenyl of 2 to 18 carbon atoms, phenyl, phenalkyl or alkyl-phenyl of 7 to 8 carbon atoms, phenyl, phenalkyl or alkyl-phenyl of 7 to 8 carbon atoms, all radicals R optionally being substituted by chlorine, bromine, cyano or lower acyloxy, and wherein X is halogen such as 2-chloroethane phosphonic acid dichloride, by reacting phosphonic or thio-phosphonic acids of the formula ##EQU2## wherein Y is oxygen or sulfur, their salts or functional derivatives, with acid halides of the formula (CO).sub.n X.sub.2 (III) wherein X is chlorine or bromine and n is 1 or 2, in the presence of 0.2 - 5% or in the presence of 0.01 to 0.2% by weight of 1. compounds containing at least one tri- to pentavalent nitrogen or phosphorus atom, which in the case of nitrogen is bound with 1 to 4, in the case of phosphorus with at least 3 valences to organic radicals having up to 20 carbon atoms, two of these valences optionally forming a double bond, or 2. mono-di- or tribasic organic or inorganic fully amidated acids or tri- or pentavalent phosphorus, the N atom of which optionally being substituted by aliphatic radicals having up to 20 carbon atoms, and the organic radicals of which contain up to 20 carbon atoms, If required, in the presence of an inert solvent.

  制备式为##EQU1##的膦酸二卤代物的过程，其中R是1至18个碳原子的烷基，4至8个碳原子的环烷基，2至18个碳原子的烯基，苯基，苯基烷基或7至8个碳原子的烷基苯基，苯基，苯基烷基或7至8个碳原子的烷基苯基，所有基团R可选择地被氯，溴，氰基或较低的酰氧基取代，其中X是卤素，例如2-氯乙烷膦酸二氯化物，通过将式为##EQU2##的膦酸或硫膦酸与式为(CO).sub.nX.sub.2(III)的酸卤反应而得，其中Y是氧或硫，它们的盐或功能衍生物，X是氯或溴，n为1或2，在0.2-5%的存在下或在0.01至0.2%的存在下按重量计的1.至少含有一个三至五价氮或磷原子的化合物，其中在氮的情况下与1至4个，在磷的情况下与至少3个价的有机基团结合，这些价中的两个可选择地形成双键，或2.单，二或三碱基的有机或无机全酰胺酸或三价或五价磷，其中N原子可选择地被含有最多20个碳原子的脂肪基团取代，其有机基团含有最多20个碳原子，如有必要，在惰性溶剂的存在下。
• Synthesen von 2,3-Dioxoalkylphosphonaten und anderer neuartiger ?-Ketophosphonate sowie eines Phosphinopyruvamids ( = (Alkyloxyphosphinyl)pyruvamids)
  作者：Richard Neidlein、Helmut Feistauer

  DOI：10.1002/hlca.19960790329

  日期：1996.5.8

  Syntheses of 2,3-Dioxoalkylphonates and Other Novel β-Ketophosphonates As Well As of a Phosphinopyruvamide ( = (Alkyloxyphosphinyl)pyruvamide)

  2,3-二氧代烷基膦酸酯和其他新型β-酮膦酸酯以及膦酰丙酮酰胺（=（烷氧基膦基）丙酮酰胺）的合成
• Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators
  申请人：Maeda Dean Y.

  公开号：US20100210593A1

  公开（公告）日：2010-08-19

  There is disclosed pyridine- and pyrimidinecarboxamide compounds useful as pharmaceutical agents, synthesis processes, and pharmaceutical compositions which include pyridine- and pyrimidinecarboxamides compounds. More specifically, there is disclosed a genus of CXCR2 inhibitor compounds that are useful for treating a variety of inflammatory and neoplastic disorders.

  披露了作为药物剂的吡啶和嘧啶羧酰胺化合物，合成过程以及包括吡啶和嘧啶羧酰胺化合物的药物组合物。更具体地，披露了一类CXCR2抑制剂化合物，可用于治疗各种炎症和肿瘤性疾病。
• Fragmentation-Related Phosphonylation of Nucleophiles Utilizing P-Alkyl 2,3-oxaphosphabicyclo[2.2.2]octene 3-oxide Precursors
  作者：Tamara Kovács、Laura Szandra Fülöp、György Keglevich

  DOI：10.1002/hc.21304

  日期：2016.3

  New P-alkyl 2,3-oxaphosphabicyclo-[2.2.2]octene 3-oxides were synthesized by the Bayer–Villiger oxidation of the corresponding 7-phosphanorbornene 7-oxides and were used as precursors for reactive alkylmetaphosphonates useful in the phosphonylation of alcohols. This is the first case that the reactivity of the two regioisomers formed by O-insertion was differentiated and that the fragmentation-related

  新的 P-烷基 2,3-氧杂磷杂双环-[2.2.2] 辛烯 3-氧化物是通过相应的 7-磷酰冰片烯 7-氧化物的 Bayer-Villiger 氧化合成的，并用作反应性烷基偏膦酸酯的前体，可用于醇的膦酰化. 这是第一个通过 O 插入形成的两种区域异构体的反应性不同的情况，并且在微波辅助条件下实现了导致膦酸酯的断裂相关的膦酰化。

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