p-tolyloxy-oxalacetic acid diethyl ester | 93697-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: p-tolyloxy-oxalacetic acid diethyl ester
• 英文别名: p-Tolyloxy-oxalessigsaeure-diaethylester；diethyl 2-(4-methylphenoxy)-3-oxosuccinate；Diethyl 2-(4-methylphenoxy)-3-oxobutanedioate
• CAS: 93697-31-5
• 化学式: C₁₅H₁₈O₆
• 分子量: 294.304
• InChiKey: MFJYJLZXKHPDFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  408.7±40.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  p-tolyloxy-oxalacetic acid diethyl ester 在 硫酸 、 溶剂黄146 作用下， 生成 5-methyl-benzofuran-2,3-dicarboxylic acid-3-ethyl ester
  参考文献：
  名称：

  A Synthesis of Coumaron-2,3-dicarboxylic Acids

  摘要：

  DOI：

  10.1021/ja01851a507
• 作为产物：
  描述：

  乙酸-(4-甲基苯氧基)乙酯 、 草酸二乙酯 在 乙醚 、 sodium ethanolate 作用下， 生成 p-tolyloxy-oxalacetic acid diethyl ester
  参考文献：
  名称：

  A Synthesis of Coumaron-2,3-dicarboxylic Acids

  摘要：

  DOI：

  10.1021/ja01851a507

文献信息

• COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF
  申请人：Gorbunov Sergei Valeryevich

  公开号：US20190119193A1

  公开（公告）日：2019-04-25

  A composition for regulating plant growth, the active ingredient of which is an ester of oxaloacetic acid or a salt thereof, or derivatives thereof, wherein the ester of oxaloacetic acid has the formula set forth below, where R 1 and R 2 are independently selected from a series of C 1 -C 18 alkyl groups, and wherein the content of the active ingredient corresponds to a concentration of from 10 −11 M to 10 −3 M. The active ingredients and compositions for regulating plant growth allow for treating plants in order to stimulate the growth thereof and achieve such advantages as increased yields, improved plant quality, improved nutrient absorption and enhanced stress resistance, while allowing such advantages to be achieved using a relatively small amount of an active ingredient(s) which is/are biodegradable and environmentally friendly.

  一种用于调节植物生长的组合物，其活性成分为草酰乙酸酯或其盐或其衍生物，其中草酰乙酸酯的化学式如下，其中R1和R2分别选自一系列C1-C18烷基基团，且活性成分的含量相当于10−11M至10−3M的浓度。这种用于调节植物生长的活性成分和组合物可用于处理植物，以刺激其生长并实现增产、改善植物质量、改善营养吸收和增强抗压能力等优点，同时使用相对较少的活性成分（它们是可生物降解和环保的）即可实现这些优点。
• Anti-inflammatory and analgesic benzothiophene and benzafuran
  申请人：Beecham Group p.l.c.

  公开号：US04548948A1

  公开（公告）日：1985-10-22

  Compounds of formula (I): ##STR1## wherein: Ar is phenyl optionally substituted in the o-, m- or p-position by C.sub.1-4 alkyl, C.sub.1-4 alkoxy, trifluoromethyl, bromo, chloro or fluoro, pyrryl optionally N-substituted by C.sub.1-4 alkyl, 2-furyl or 2-thienyl either optionally substituted in the 3-, 4- or 5-position by methyl, chloro or bromo, or 3-furyl or 3-thienyl; X is oxygen, sulphur, sulphoxide or sulphone, Y is methylene, R.sub.1 and R.sub.3 are hydrogen or C.sub.1-4 alkyl, and R.sub.2 is hydrogen, C.sub.1-4 alkyl, fluoro, chloro or bromo, or X is methylene, Y is oxygen, R.sub.1 and R.sub.3 are both hydrogen, and R.sub.2 is hydrogen, fluoro, chloro or bromo; and R.sub.4 is hydrogen or C.sub.1-4 alkyl, or a salt thereof, have analgesic and/or anti-inflammatory activity.

  式(I)的化合物：## STR1 ## 其中：Ar是苯基，可以在o-、m-或p-位置上被C.sub.1-4烷基，C.sub.1-4烷氧基，三氟甲基，溴，氯或氟取代，也可以是吡咯基，可选择由C.sub.1-4烷基取代，2-呋喃基或2-噻吩基，也可以在3-、4-或5-位置上被甲基，氯或溴取代，或3-呋喃基或3-噻吩基；X是氧，硫，亚砜或砜，Y是亚甲基，R.sub.1和R.sub.3是氢或C.sub.1-4烷基，R.sub.2是氢，C.sub.1-4烷基，氟，氯或溴，或X是亚甲基，Y是氧，R.sub.1和R.sub.3都是氢，R.sub.2是氢，氟，氯或溴；R.sub.4是氢或C.sub.1-4烷基，或其盐，具有镇痛和/或抗炎活性。
• Benzofuran and benzothiophene-carboxylic-acid derivatives
  申请人：BEECHAM GROUP PLC

  公开号：EP0117675A1

  公开（公告）日：1984-09-05

  Compounds of formula (I): wherein: Ar is phenyl optionally substituted in the o-, m-, or p-position by C1-4. alkyl, C1-4 alkoxy, trifluoromethyl, bromo, chloro or fluoro, pyrryl optionally N-substituted by C1-4 alkyl, 2-furyl or 2-thienyl either optionally substituted in the 3-, 4- or 5-position by methyl, chloro or bromo, or 3-furyl or 3-thienyl; X is oxygen, sulphur, sulphoxide or sulphone, Y is methylene, R1 and R3 are hydrogen or C1-4 alkyl, and R2 is hydrogen, C1-4 alkyl, fluoro, chloro or bromo, or X is methylene, Y is oxygen, R1 and R3 are both hydrogen, and R2 is hydrogen, fluoro, chloro or bromo; and R4 is hydrogen or C1-4 alkyl, or a salt thereof, have analgesic and/or anti-inflammatory activity.

  式(I)化合物： 其中 Ar 是在 o、m 或 p 位任选被 C1-4 烷基、C1-4 烷氧基、三氟甲基、溴、氯或氟取代的苯基、 由 C1-4 烷基任选 N 取代的吡咯基、 在 3-、4-或 5-位任选被甲基、氯或溴取代的 2-呋喃基或 2-噻吩基，或 3-呋喃基或 3-噻吩基； X 是氧、硫、亚砜或砜，Y 是亚甲基，R1 和 R3 是氢或 C1-4 烷基，R2 是氢、C1-4 烷基、氟、氯或溴，或 X 是亚甲基，Y 是氧，R1 和 R3 都是氢，R2 是氢、氟、氯或溴；以及 R4 是氢或 C1-4 烷基，或其盐，具有镇痛和/或消炎活性。
• US4548948A
  申请人：——

  公开号：US4548948A

  公开（公告）日：1985-10-22
• A Synthesis of Coumaron-2,3-dicarboxylic Acids
  作者：C. F. Koelsch、A. G. Whitney

  DOI：10.1021/ja01851a507

  日期：1941.6