(E)-ethyl 4-methoxy-2-oxopent-3-enoate | 86602-05-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-ethyl 4-methoxy-2-oxopent-3-enoate
• 英文别名: ethyl (3E)-4-methoxy-2-oxopent-3-enoate；ethyl (E)-4-methoxy-2-oxopent-3-enoate
• CAS: 86602-05-3
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: QQTWBKLZHTXDCM-AATRIKPKSA-N

物化性质

• 沸点：
  232.3±32.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  (E)-ethyl 4-methoxy-2-oxopent-3-enoate 在 溴 、 溶剂黄146 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 7.0h， 生成 ethyl 1-(3-chloropyridin-2-yl)-3-((methylthio)methyl)-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  WO2023/12081

  摘要：

  公开号：
• 作为产物：
  描述：

  (Z)-4-Methoxy-2-oxo-pent-3-enoic acid ethyl ester 生成 (E)-ethyl 4-methoxy-2-oxopent-3-enoate
  参考文献：
  名称：

  HAIDER, A.;WYLER, H., HELV. CHIM. ACTA, 1983, 66, N 2, 606-610

  摘要：

  DOI：

文献信息

• Synthesis of New Pyrazolo[1,5-a]pyrimidines by Reaction of β,γ-Unsaturated γ-Alkoxy-α-keto Esters with N-Unsubstituted 5-Aminopyrazoles
  作者：Ivan Kondratov、Oleksandr Stepaniuk、Vitalii Matviienko、Igor Vitruk、Andrei Tolmachev

  DOI：10.1055/s-0032-1318329

  日期：——

  closely resemble the structure of several marketed pharmaceuticals. The reaction of β,γ-unsaturated γ-alkoxy-α-keto esters with N-unsubstituted 5-aminopyrazoles was investigated. The reaction proceeds with high regioselectivity and is considered as an effective­ method for the preparation of new pyrazolo[1,5-a]pyrimidines bearing an ester function in the 7-position. The obtained drug-like compounds have

  摘要 研究了β，γ-不饱和γ-烷氧基-α-酮酸酯与N-未取代的5-氨基吡唑的反应。该反应以高区域选择性进行，并且被认为是制备在7位具有酯功能的新型吡唑并[1，5- a ]嘧啶的有效方法。所获得的类药物化合物非常类似于几种市售药物的结构，因此在药物化学上具有巨大的潜力。 研究了β，γ-不饱和γ-烷氧基-α-酮酸酯与N-未取代的5-氨基吡唑的反应。该反应以高区域选择性进行，并且被认为是制备在7位具有酯功能的新型吡唑并[1，5- a ]嘧啶的有效方法。所获得的类药物化合物非常类似于几种市售药物的结构，因此在药物化学上具有巨大的潜力。
• The Methyl Enol Ethers of Ethyl 2, 4-Dioxopentanoate
  作者：Akhtar Haider、Hugo Wyler

  DOI：10.1002/hlca.19830660220

  日期：1983.3.16

  Methylation of ethyl 2, 4-dioxopentanoate with diazomethane gives a mixture of two enol ethers, the 2-methoxy and the 4-methoxy isomer, with a product ratio which depends upon reaction temperature. Both enol ethers, initially (Z)-configurated, isomerize to the corresponding (E)-conformers, the 4-methoxy compound with particular ease.

  2，4-二氧戊酸乙酯与重氮甲烷的甲基化反应得到两种烯醇醚的混合物，即2-甲氧基和4-甲氧基异构体，其产物比取决于反应温度。最初（Z）-构型的两种烯醇醚都特别容易异构化为相应的（E）-构型异构体，即4-甲氧基化合物。
• METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR
  申请人：[en]SYNGENTA CROP PROTECTION AG

  公开号：WO2024133426A1

  公开（公告）日：2024-06-27

  A method for combating and controlling diamide-resistant insects to (i) reduce damage on a plant, which comprises applying to the insect, to a locus of the insect, or to a plant susceptible to attack by the insect, an effective amount of a compound of formula (I); or (ii) protect plant propagation material, which comprises treating the propagation material or the site, where the propagation material is planted, with an effective amount of a compound of formula (I); wherein the compound of formula (I) is I wherein the substituents are as defined in claim 1, and the agrochemically acceptable salts, stereoisomers, enantiomers, tautomers and N-oxides of those compounds, can be used as insecticides.
• [EN] REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS<br/>[FR] AGONISTES REV-ERB POUR DES TROUBLES INFLAMMATOIRES À MÉDIATION PAR TH17
  申请人：[en]UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED

  公开号：WO2023122093A1

  公开（公告）日：2023-06-29

  The present disclosure provides compounds and their pharmaceutical compositions as selective agonists of REV-ERBα. The compounds are useful in various methods and uses, such as in the treatment of diseases including hyperglycemia, dyslipidemia, atherosclerosis, and autoimmune and inflammatory disorders or diseases, and as cancer therapeutics, such as for the treatment of glioblastoma, hepatocellular carcinoma, and colorectal cancer, and for immune-oncology purposes.