2-oxa-3,3-dicarboethoxybicyclo[2.2.2]oct-5-ene | 24588-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2-oxa-3,3-dicarboethoxybicyclo[2.2.2]oct-5-ene
• 英文别名: 2-oxa-3,3-dicarboethoxybicyclo<2.2.2>oct-5-ene；Δ^5,6-2-Oxa-bicyclo-(2,2,2)-octeno-3,3-dicarbonsaeure-diaethylester；2-oxa-bicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid diethyl ester；2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, diethyl ester；diethyl 2-oxabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylate
• CAS: 24588-62-3
• 化学式: C₁₃H₁₈O₅
• 分子量: 254.283
• InChiKey: CDWKQQJMZZEEGK-UHFFFAOYSA-N

物化性质

• 沸点：
  125-130 °C(Press: 1.5 Torr)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  2-oxa-3,3-dicarboethoxybicyclo[2.2.2]oct-5-ene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 2-oxa-3,3-bis-hydroxymethylbicyclo<2.2.2>oct-5-ene
  参考文献：
  名称：

  Inokuma, Shun; Sugie, Akihiko; Moriguchi, Koichi, Heterocycles, 1983, vol. 20, # 6, p. 1109 - 1116

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-环己二烯 、 酮基丙二酸二乙酯 以85%的产率得到
  参考文献：
  名称：

  INOKUMA, SHUN;SUGIE, AKIHIKO;MORIGUCHI, KOICHI;KATSUBE, JUNKI, HETEROCYCLES, 1983, 20, N 6, 1109-1116

  摘要：

  DOI：

文献信息

• Chiral CO₂-Synthons via Catalytic Asymmetric Hetero-Diels−Alder Reactions of Ketomalonate and Dienes
  作者：Sulan Yao、Mark Roberson、Frank Reichel、Rita G. Hazell、Karl Anker Jørgensen

  DOI：10.1021/jo990696i

  日期：1999.9.1

  A catalytic enantioselective approach for the formation of chiral CO(2)-synthons is presented. The described methodology is based on the reaction of dienes with diethyl ketomalonate using C(2)-symmetric bisoxazolines as the chiral ligands and copper(II) and zinc(II) as the Lewis acids. For cyclic dienes the reaction proceeds in good yield and with up to 93% ee for 1,3-cyclohexadiene, while for cyclopentadiene

  提出了一种手性CO（2）合成子形成催化对映选择性方法。所描述的方法是基于二烯与酮丁二酸二乙酯的反应，使用C（2）对称的双恶唑啉作为手性配体，铜（II）和锌（II）作为路易斯酸。对于环状二烯，反应以良好的收率进行，并且对于1，3-环己二烯，ee高达93％，而对于环戊二烯，该反应在低温下也进行得很好，但是升高温度会导致逆Diels-Alder反应。已经在不同条件下和针对各种二烯对反应进行了研究，并且发现对于活化的二烯，杂-Diels-Alder和Mukaiyama Aldol产物均被分离。由1的对映选择性杂Diels-Alder反应形成的化合物 3-ketolononate的3-环己二烯已转化为原理上从CO（2）和1,3-环己二烯的[2 + 4]环加成反应形成的CO（2）-合成子，以及有吸引力的光学活性1,4-二取代环己二醇。杂-Diels-Alder加合物的绝对构型是基于1,4-二取代的环己
• Hepatitis C virus inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10617675B2

  公开（公告）日：2020-04-14

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开内容一般涉及抗病毒化合物，更具体地涉及可抑制丙型肝炎病毒（HCV）编码的 NS5A 蛋白功能的化合物组合、包含此类组合的组合物以及抑制 NS5A 蛋白功能的方法。
• IKUMA, MASARI;KATSUBEH, SUMIMOTO
  作者：IKUMA, MASARI、KATSUBEH, SUMIMOTO

  DOI：——

  日期：——
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20180221342A1

  公开（公告）日：2018-08-09

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.
• [EN] HERBICIDAL MALONAMIDES<br/>[FR] MALONAMIDES HERBICIDES
  申请人：[en]BASF SE

  公开号：WO2022112351A1

  公开（公告）日：2022-06-02

  The present invention relates to malonamide compounds of the formula (I) wherein the variables are as defined in the claims and the description, and to compositions comprising these compounds. The invention also relates to the use of said malonamide compounds or the corresponding compositions for controlling unwanted vegetation. Furthermore, the invention relates to methods for controlling unwanted vegetation wherein said malonamide compounds or the corresponding compositions are applied.