3-(furan-2-yl)-5,6-dihydroxy-4-methyl-2-(2,4,6-trimethoxybenzyl)benzaldehyde

• 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: 3-(furan-2-yl)-5,6-dihydroxy-4-methyl-2-(2,4,6-trimethoxybenzyl)benzaldehyde
• 英文别名: 5-(Furan-2-yl)-2,3-dihydroxy-4-methyl-6-[(2,4,6-trimethoxyphenyl)methyl]benzaldehyde；5-(furan-2-yl)-2,3-dihydroxy-4-methyl-6-[(2,4,6-trimethoxyphenyl)methyl]benzaldehyde
• 化学式: C₂₂H₂₂O₇
• 分子量: 398.412
• InChiKey: ALRFBTFXBASHPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  98.4
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3,5-三甲氧基苯 、 3-((3-(furan-2-yl)prop-2-yn-1-yl)oxy)-2-methyl-4H-pyran-4-one 以 1,2-二氯乙烷 为溶剂， 反应 13.0h， 以15%的产率得到3-(furan-2-yl)-5,6-dihydroxy-4-methyl-2-(2,4,6-trimethoxybenzyl)benzaldehyde
  参考文献：
  名称：

  机制指导的支架多样化：扰动和诱捕麦芽酚型叶栅克莱森重排的中间体。

  摘要：

  进行了机制指导的研究，以利用级联克莱森重排中的各种活性物种进行支架多样化。这些健壮而实用的过程为一系列具有较大化学空间（从平面到三维）的化学结构提供了架构。此外，还观察到了一些有趣的反应，例如[3 + 3]二聚化，醌基乙烯基Nazarov型环化以及罕见的12e [σ2a+π2s+π2a+π2s+（π2a+π2s）] Mobius芳香族过渡态介导的重排。

  DOI：

  10.1021/acs.orglett.8b03519

文献信息

• POLYSUBSTITUTED BENZENE, PREPARATION METHOD THEREOF, AND METHOD OF USING THE SAME
  申请人：Genifarm Laboratories Inc

  公开号：US20200361893A1

  公开（公告）日：2020-11-19

  A polysubstituted benzene compound, preparation method thereof, and method of using the same. The compound has a formula I or I′, where X represents carbon, sulfur, or oxygen; R 1 represents a C 1-16 alkyl, C 2-16 alkenyl, or C 2-10 alkynyl; R 2 represents hydrogen, halogen, C 1-16 alkyl, C 2-16 alkenyl, or C 2-10 alkynyl; or an aryl group or a substituted aryl group by 1-5 groups selected from halogen, C 1-26 alkyl, C 1-3 halogenated alkyl, O—C 1-3 alkyl, hydroxyl, amino, nitro, cyano group, aldehyde group and ester group; or a heteroaryl group or a substituted heteroaryl group by 1-5 groups selected from halogen, C 1-26 alkyl, C 1-3 halogenated alkyl, O—C 1-3 alkyl, hydroxyl, amino, nitro, cyano group, aldehyde group and ester group; the heteroaryl group is a 3-10-membered heteroaryl group including N, S, O, or a combination thereof.

  一种多取代苯化合物，其制备方法及使用方法。该化合物具有式I或I'，其中X代表碳、硫或氧；R1代表C1-16烷基、C2-16烯基或C2-10炔基；R2代表氢、卤素、C1-16烷基、C2-16烯基或C2-10炔基；或者是芳基或被1-5个来自卤素、C1-26烷基、C1-3卤代烷基、O—C1-3烷基、羟基、氨基、硝基、氰基、醛基和酯基的基团取代的芳基；或者是杂芳基或被1-5个来自卤素、C1-26烷基、C1-3卤代烷基、O—C1-3烷基、羟基、氨基、硝基、氰基、醛基和酯基的基团取代的杂芳基；所述杂芳基是包括N、S、O或其组合的3-10成员的杂芳基。
• MULTI-SUBSTITUTED BENZENE COMPOUND HAVING BIOLOGICAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  申请人：Genifarm Laboratories Inc

  公开号：EP3753931A1

  公开（公告）日：2020-12-23

  Disclosed are a polysubstituted benzene compound having biological activity, a preparation method therefor, and an application thereof. The compound of the present invention has good biological activity and the activity of inhibiting tumor cell proliferation, and can be used as a lead compound for the research and development of novel drugs and for the preparation of anti-tumor drugs, such as drugs for the treatment of gastric cancer, ovarian cancer, lung cancer, or prostate cancer. The synthesis method of the present invention has wide availability of raw materials, ease of operation, short route, mild reaction conditions, low costs, and a potential value for industrialization.

  本发明公开了一种具有生物活性的多取代苯化合物、其制备方法及其应用。本发明的化合物具有良好的生物活性和抑制肿瘤细胞增殖的活性，可作为先导化合物用于新型药物的研发和抗肿瘤药物的制备，如治疗胃癌、卵巢癌、肺癌或前列腺癌的药物。本发明的合成方法原料来源广、操作简便、路线短、反应条件温和、成本低，具有产业化的潜在价值。
• Polysubstituted benzene, preparation method thereof, and method of using the same
  申请人：Genifarm Laboratories Inc

  公开号：US11376228B2

  公开（公告）日：2022-07-05

  A polysubstituted benzene compound, preparation method thereof, and method of using the same. The compound has a formula I or I′, where X represents carbon, sulfur, or oxygen; R1 represents a C1-16 alkyl, C2-16 alkenyl, or C2-10 alkynyl; R2 represents hydrogen, halogen, C1-16 alkyl, C2-16 alkenyl, or C2-10 alkynyl; or an aryl group or a substituted aryl group by 1-5 groups selected from halogen, C1-26 alkyl, C1-3 halogenated alkyl, O—C1-3 alkyl, hydroxyl, amino, nitro, cyano group, aldehyde group and ester group; or a heteroaryl group or a substituted heteroaryl group by 1-5 groups selected from halogen, C1-26 alkyl, C1-3 halogenated alkyl, O—C1-3 alkyl, hydroxyl, amino, nitro, cyano group, aldehyde group and ester group; the heteroaryl group is a 3-10-membered heteroaryl group including N, S, O, or a combination thereof.

  一种多取代苯化合物、其制备方法和使用方法。该化合物具有式 I 或 I′，其中 X 代表碳、硫或氧；R1 代表 C1-16 烷基、C2-16 烯基或 C2-10 烷炔基；R2 代表氢、卤素、C1-16 烷基、C2-16 烯基或 C2-10 烷炔基；或芳基或被 1-5 个选自卤素、C1-26 烷基、C1-3 卤代烷基、O-C1-3 烷基、羟基、氨基、硝基、氰基、醛基和酯基的基团取代的芳基；或杂芳基或被 1-5 个基团取代的杂芳基，这些基团选自卤素、C1-26 烷基、C1-3 卤代烷基、O-C1-3 烷基、羟基、氨基、硝基、氰基、醛基和酯基；杂芳基是包括 N、S、O 或其组合的 3-10 元杂芳基。
• Mechanism-Guided Scaffold Diversification: Perturbing and Trapping the Intermediates of Maltol-Type Cascade Claisen Rearrangement
  作者：Tongxiang Cao、Lianfen Chen、Shifa Zhu

  DOI：10.1021/acs.orglett.8b03519

  日期：2019.1.4

  mechanism-guided study to harness different kinds of active species in the cascade Claisen rearrangement for scaffold diversification has been developed. These robust and practical processes furnished a series of architectures with a large chemical space, varying from planar to three-dimensional. In addition, several interesting reactions were observed, such as [3 + 3] dimerization, quinone-based vinylogous Nazarov-type

  进行了机制指导的研究，以利用级联克莱森重排中的各种活性物种进行支架多样化。这些健壮而实用的过程为一系列具有较大化学空间（从平面到三维）的化学结构提供了架构。此外，还观察到了一些有趣的反应，例如[3 + 3]二聚化，醌基乙烯基Nazarov型环化以及罕见的12e [σ2a+π2s+π2a+π2s+（π2a+π2s）] Mobius芳香族过渡态介导的重排。