methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dienecarboxylate | 1449662-89-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dienecarboxylate
• 英文别名: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dienecarboxylate；methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-diene-1-carboxylate
• CAS: 1449662-89-8
• 化学式: C₁₄H₂₁BO₄
• 分子量: 264.129
• InChiKey: HHBCVIGZGJSOPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dienecarboxylate 在 potassium fluoride 作用下， 生成 Methyl 4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)cyclohexane-1-carboxylate
  参考文献：
  名称：

  WO2024083257A1

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]hept-5-ene-2-carboxylate 、 methyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohexa-1,3-dienecarboxylate 生成 methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dienecarboxylate
  参考文献：
  名称：

  C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY

  摘要：

  本文提供了具有药物和生物影响性质的化合物、它们的制药组合物和使用方法。特别提供了具有独特的抗病毒活性的C-3环烯基三萜类化合物，作为HIV成熟抑制剂，如公式I、II、III和IV所表示的化合物：其中X可以是C4-8环烷基、C4-8环烯基、C4-9螺环烷基、C4-9螺环烯基、C4-8氧杂环烷基、C4-8二氧杂环烷基、C6-8氧杂环烯基、C6-8二氧杂环烯基、C6-9氧杂螺环烷基或C6-9氧杂螺环烯基环。这些化合物对治疗HIV和艾滋病有用。

  公开号：

  US20130210787A1

文献信息

• Efficient synthesis of zealexin B1, a maize sesquiterpenoid phytoalexin, viaSuzuki-Miyaura coupling
  作者：Yoshitaka Matsushima、Kohei Ishii、Alisa Huffaker、Eric A. Schmelz

  DOI：10.1016/j.tetlet.2022.153641

  日期：2022.2

  sesquiterpenoid phytoalexin, was developed via Suzuki-Miyaura coupling. The coupling components were prepared as their corresponding triflates or boronates, starting from the corresponding commercially available ketone and a known keto-ester; the latter is a Diels-Alder product. The reaction was also performed by interchanging the boronate and triflate coupling partners, and the yields were significantly

  通过Suzuki-Miyaura 偶联开发了第一个合成玉米倍半萜类植物抗毒素 zealexin B1 的简明方法。从相应的市售酮和已知的酮酯开始，将偶联组分制备为其相应的三氟甲磺酸酯或硼酸酯；后者是 Diels-Alder 产品。该反应还通过交换硼酸盐和三氟甲磺酸盐偶联配对物进行，两种组合的产率显着不同。
• C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY
  申请人：Bristol-Myers Squibb Company

  公开号：US20130210787A1

  公开（公告）日：2013-08-15

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-3 cycloalkenyl triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II, III and IV: wherein X can be a C 4-8 cycloalkyl, C 4-8 cycloalkenyl, C 4-9 spirocycloalkyl, C 4-9 spirocycloalkenyl, C 4-8 oxacycloalkyl, C 4-8 dioxacycloalkyl, C 6-8 oxacycloalkenyl, C 6-8 dioxacycloalkenyl, C 6-9 oxaspirocycloalkyl, or C 6-9 oxaspirocycloalkenyl ring. These compounds are useful for the treatment of HIV and AIDS.

  本文提供了具有药物和生物影响性质的化合物、它们的制药组合物和使用方法。特别提供了具有独特的抗病毒活性的C-3环烯基三萜类化合物，作为HIV成熟抑制剂，如公式I、II、III和IV所表示的化合物：其中X可以是C4-8环烷基、C4-8环烯基、C4-9螺环烷基、C4-9螺环烯基、C4-8氧杂环烷基、C4-8二氧杂环烷基、C6-8氧杂环烯基、C6-8二氧杂环烯基、C6-9氧杂螺环烷基或C6-9氧杂螺环烯基环。这些化合物对治疗HIV和艾滋病有用。
• C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity
  申请人：Bristol-Myers Squibb Company

  公开号：US08906889B2

  公开（公告）日：2014-12-09

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-3 cycloalkenyl triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II, III and IV: wherein X can be a C4-8 cycloalkyl, C4-8 cycloalkenyl, C4-9 spirocycloalkyl, C4-9 spirocycloalkenyl, C4-8 oxacycloalkyl, C4-8 dioxacycloalkyl, C6-8 oxacycloalkenyl, C6-8 dioxacycloalkenyl, C6-9 oxaspirocycloalkyl, or C6-9 oxaspirocycloalkenyl ring. These compounds are useful for the treatment of HIV and AIDS.

  本文提供了具有药物和生物作用特性的化合物，它们的制药组合物和使用方法。特别是，提供了具有独特的抗病毒活性的C-3环烯基三萜类化合物，作为HIV成熟抑制剂，如公式I、II、III和IV所示的化合物： 其中X可以是C4-8环烷基、C4-8环烯基、C4-9螺环烷基、C4-9螺环烯基、C4-8氧杂环烷基、C4-8二氧杂环烷基、C6-8氧杂环烯基、C6-8二氧杂环烯基、C6-9氧杂螺环烷基或C6-9氧杂螺环烯基环。这些化合物对治疗HIV和艾滋病有用。