3-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one | 78467-66-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one
• 英文别名: 3-(3,3-dimethylallyloxy)coumarin；3-isopentenyloxycoumarin；3-prenyloxycoumarin；Prenyloxycoumarin；3-(3-methylbut-2-enoxy)chromen-2-one
• CAS: 78467-66-0
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: CVBKWIWUOWPXGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one 180.0~200.0 ℃ 、66.66 Pa 条件下， 以75%的产率得到4-(1,1-dimethylallyl)-3-hydroxycoumaron
  参考文献：
  名称：

  Mitra, Alok K.; Mukhopadhyay, Apurba K.; Misra, Swapan K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, p. 834 - 837

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟基香豆素 、 1-氯-3-甲基-2-丁烯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 12.0h， 以30%的产率得到3-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one
  参考文献：
  名称：

  Shah, R. R.; Trivedi, K. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 3, p. 210 - 212

  摘要：

  DOI：

文献信息

• PERITONEAL THERAPEUTIC FLUID
  申请人：Opterion Health AG

  公开号：EP3120842A1

  公开（公告）日：2017-01-25

  Peritoneal therapeutic fluid comprising one or more of a biocompatibility enhancing agent (BCA) that is selected from the group consisting of a polyphenolic compound, a metabolite of a polyphenolic compound which is obtained by metabolization in the human or animal body, a salt or a glycoside of a polyphenolic compound.

  含有一种或多种生物相容性增强剂（BCA）的腹膜治疗液，这种生物相容性增强剂选自多酚类化合物、多酚类化合物在人或动物体内代谢产生的代谢产物、多酚类化合物的盐或糖苷组成的组。
• AQUEOUS SOLUTION COMPRISING A POLYPHENOL
  申请人：Opterion Health AG

  公开号：EP3120838A1

  公开（公告）日：2017-01-25

  Aqueous solution, comprising, in dissolved state, - at least one polyphenolic compound (e. g. resveratrol or piceid) - at least one saccharide (e. g. glucose or icodextrin), and method for increasing the solubility of a polyphenolic compound in water

  水溶液，以溶解状态包含 - 至少一种多酚类化合物（如白藜芦醇或 piceid） - 至少一种糖类（如葡萄糖或冰糖糊精）、 以及提高多酚类化合物在水中溶解度的方法
• Composition for removing dental plaque and tartar
  申请人：Burke Colly A.

  公开号：US10945944B2

  公开（公告）日：2021-03-16

  The present disclosure relates to formulation for a teeth-cleaning product and a process for creating the formulation. Coconut milk and citrus pith are mixed into a formulation and heated upon a heat source until substantially boiling. Sodium bicarbonate and sodium carbonate are mixed into the formulation. Next, ethanol and hydrogen peroxide are added to the formulation. The formulation is removed from the heat source, then apple flesh and sodium chloride are added to the formulation. The formulation is allowed to cool. Next, peppermint oil and honey are added.

  本公开涉及一种洁齿产品的配方和制作该配方的工艺。将椰奶和柑橘髓混合到配方中，并在热源上加热至基本沸腾。碳酸氢钠和碳酸钠混入配方中。然后，在配方中加入乙醇和过氧化氢。将配方从热源中移出，然后向配方中加入苹果肉和氯化钠。让配方冷却。然后加入薄荷油和蜂蜜。
• Peritoneal therapeutic fluid
  申请人：OPTERION Health AG

  公开号：US11160766B2

  公开（公告）日：2021-11-02

  Peritoneal therapeutic fluid comprising one or more of a biocompatibility enhancing agent (BCA) that is selected from the group consisting of a polyphenolic compound, a metabolite of a polyphenolic compound which is obtained by metabolization in the human or animal body, a salt or a glycoside of a polyphenolic compound.

  含有一种或多种生物相容性增强剂（BCA）的腹膜治疗液，这种生物相容性增强剂选自多酚类化合物、多酚类化合物在人或动物体内代谢产生的代谢产物、多酚类化合物的盐或糖苷组成的组。
• Synthesis and SAR studies of mono O-prenylated coumarins as potent 15-lipoxygenase inhibitors
  作者：Mehrdad Iranshahi、Atena Jabbari、Ala Orafaie、Robabeh Mehri、Soudabeh Zeraatkar、Taraneh Ahmadi、Maliheh Alimardani、Hamid Sadeghian

  DOI：10.1016/j.ejmech.2012.09.006

  日期：2012.11

  All of the mono isopentenyloxy, -geranyloxy and -farnesyloxy derivatives of coumarin were synthesized and their inhibitory potency against soybean 15-lipoxygenase (SLO) and human 15-lipoxygenase-1 (HLO-1) were determined. Amongst the synthetic analogs, 5-farnesyloxycoumarin showed the most potent inhibitory activity against SLO (IC50 = 0.8 mu M) while 6-farnesyloxycoumarin was the strongest HLO-1 inhibitor (IC50 = 1.3 mu M). The IC50 variations of the farnesyl derivatives for HLO-1 (1.3 to similar to 75 mu M) were much higher than that observed for SLO (0.8-5.8 mu M). SAR studies showed that hydrogen bonding, CH/pi, anion-pi and S-O=C interactions with Fe-III-OH, Leu408, Glu357 and Met419 were the distinct intermolecular interactions which can lead to important role of the coumarin substitution site in HLO-1 inhibitory potency, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.