2-formyl-3-(3-methoxy-phenyl)-propionic acid ethyl ester | 72830-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-formyl-3-(3-methoxy-phenyl)-propionic acid ethyl ester
• 英文别名: 2-Formyl-3-(3-methoxy-phenyl)-propionsaeure-aethylester；ethyl 2-formyl-3-(3-methoxyphenyl)propionate；ethyl 2-formyl-3-(3-methoxyphenyl)propanoate
• CAS: 72830-03-6
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: YKDRIMJQGBNOKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  硝基胍 、 2-formyl-3-(3-methoxy-phenyl)-propionic acid ethyl ester 在 sodium methylate 、 sodium 作用下， 以 甲醇 、 水 为溶剂， 以29%的产率得到2-nitroamino-5-(3-methoxybenzyl)-4-pyrimidone
  参考文献：
  名称：

  Intermediates in the process for making histamine antagonists

  摘要：

  一种制备取代2-氨基嘧啶酮的方法，这些化合物是组胺H.sub.2-拮抗剂，包括将2-硝基氨基嘧啶酮与杂环烷基胺、杂环烷基硫代烷基胺或杂环烷基氧代烷基胺反应。通过这种方法可以制备一种特定化合物，即2-[2-(5-甲基-4-咪唑基甲硫基)乙基氨基]-5-[5-(1,3-苯并二氧杂环己基)甲基]-4-嘧啶酮。此外，还声明了用于该方法的2-硝基氨基嘧啶酮中间体。其中一个特定的中间体是2-硝基氨基-5-[5-(1,3-苯并二氧杂环己基)甲基]-4-嘧啶酮。

  公开号：

  US04227000A1
• 作为产物：
  描述：

  3-(3-甲氧基苯基)丙酸乙酯 、 甲酸乙酯 在 sodium ethanolate 作用下， 生成 2-formyl-3-(3-methoxy-phenyl)-propionic acid ethyl ester
  参考文献：
  名称：

  Fine mapping of the rice bacterial blight resistance gene Xa-4 and its co-segregation marker

  摘要：

  An F-2 population developed from the Xa-4 near isogenic lines, IR24 and IRBB4, was used for fine mapping of the rice bacterial blight resistance gene, Xa-4. Some restriction fragment length polymorphism (RFLP) markers on the high-density map constructed by Harushima et at. and the amplified DNA fragments homologous to the conserved domains of plant disease resistance (R) genes were used to construct the genetic linkage map around the gene Xa-4 by scoring susceptible individuals in the population. Xa-4 was mapped between the RFLP marker G181 and the polymerase chain reaction (PCR) marker M55. The R gene homologous fragment marker RS13 was found co-segregating with Xa-4 by analyzing all the plants in the population. This result opened an approach to map-based cloning of this gene, and marker RS13 can be applied to molecular marker-assisted selection of Xa-4 in rice breeding programs.

  DOI：

  10.1007/bf02886266

文献信息

• Process and nitroaminopyrimidone intermediates for histamine H.sub.2
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04523015A1

  公开（公告）日：1985-06-11

  A process for making substituted 2-aminopyrimidones which are histamine H.sub.2 -antagonists which comprises reacting a 2-nitroaminopyrimidone with a heteroarylalkylamine, heteroarylalkylthioalkylamine, or heteroarylalkoxyalkylamine. One particular compound which can be made by this process is 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-5-[5-(1,3-benzodioxyolyl )methyl]-4-pyrimidone. Also claimed are 2-nitroaminopyrimidone intermediates for use in this process. One specific intermediate is 2-nitroamino-5-[5-(1,3-benzodioxyolyl)methyl]-4-pyrimidone.

  一种制备取代的2-氨基嘧啶酮的方法，这些化合物是组胺H.sub.2-拮抗剂，包括将2-硝基氨基嘧啶酮与杂环烷基胺，杂环烷基硫代烷基胺或杂环烷基氧代烷基胺反应。该方法可以制备出一种特定的化合物，即2-[2-(5-甲基-4-咪唑基甲硫基)乙基氨基]-5-[5-(1,3-苯并二氧杂环基)甲基]-4-嘧啶酮。还声明了用于该方法的2-硝基氨基嘧啶酮中间体。其中一个具体的中间体是2-硝基氨基-5-[5-(1,3-苯并二氧杂环基)甲基]-4-嘧啶酮。
• 2-nitro aminopyrimidone derivatives, a process for their preparation and their use to prepare 2-aminopyrimidone derivatives which have histamine H2-antagonist activity
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0004793B1

  公开（公告）日：1981-12-30
• US4227000A
  申请人：——

  公开号：US4227000A

  公开（公告）日：1980-10-07
• US4523015A
  申请人：——

  公开号：US4523015A

  公开（公告）日：1985-06-11
• Intermediates in the process for making histamine antagonists
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04227000A1

  公开（公告）日：1980-10-07

  A process for making substituted 2-aminopyrimidones which are histamine H.sub.2 - antagonists which comprises reacting a 2-nitroaminopyrimidone with a heteroarylalkylamine, heteroarylalkylthioalkylamine, or heteroarylalkoxyalkylamine. One particular compound which can be made by this process is 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-5-[5-(1,3-benzodioxolyl) methyl]-4-pyrimidone. Also claimed are 2-nitroaminopyrimidone intermediates for use in this process. One specific intermediate is 2-nitroamino-5-[5-(1,3-benzodioxolyl)methyl]-4-pyrimidone.

  一种制备取代2-氨基嘧啶酮的方法，这些化合物是组胺H.sub.2-拮抗剂，包括将2-硝基氨基嘧啶酮与杂环烷基胺、杂环烷基硫代烷基胺或杂环烷基氧代烷基胺反应。通过这种方法可以制备一种特定化合物，即2-[2-(5-甲基-4-咪唑基甲硫基)乙基氨基]-5-[5-(1,3-苯并二氧杂环己基)甲基]-4-嘧啶酮。此外，还声明了用于该方法的2-硝基氨基嘧啶酮中间体。其中一个特定的中间体是2-硝基氨基-5-[5-(1,3-苯并二氧杂环己基)甲基]-4-嘧啶酮。