5-甲基-苯并二氢吡喃-4-醇 | 197908-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 5-甲基-苯并二氢吡喃-4-醇
• 英文名称: 5-methylchroman-4-ol
• 英文别名: 5-methyl-3,4-dihydro-2H-chromen-4-ol
• CAS: 197908-31-9
• 化学式: C₁₀H₁₂O₂
• mdl: MFCD20483560
• 分子量: 164.204
• InChiKey: KYCJPMMFWPHVRX-UHFFFAOYSA-N

物化性质

• 沸点：
  289.6±39.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-甲基-苯并二氢吡喃-4-醇 生成 S-(-)-5-methyl chroman-4-ol
  参考文献：
  名称：

  Enantioselective acylation of chroman-4-ols catalysed by lipase from Pseudomonas cepecia (Amano PS)

  摘要：

  Lipase Amano PS catalysed acylation of (+/-)-chroman-4-ols using vinyl acetate as the acyl donor in n-hexane gave (R)-(+)-chroman-4-ol acetates and (S)-(-)-chroman-4-ols in high enantiomeric excess. The relationship between the position of the substituents in the chroman-4-ol to the ee and the spatial characteristics of the enzyme active site are proposed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00366-2
• 作为产物：
  描述：

  5-甲基苯并二氢吡喃-4-酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以62 %的产率得到5-甲基-苯并二氢吡喃-4-醇
  参考文献：
  名称：

  从基于片段的 NMR 筛选中开发变构 NIK 配体

  摘要：

  NF-κB 诱导激酶 （NIK） 对于诱导许多免疫反应至关重要，因此，NIK 失调与各种炎症性疾病和癌症有关。NIK 一直被作为潜在的治疗靶点进行研究，并且已经报道了结合 NIK 上正构位点的小分子抑制剂。然而，尽管确定了化学物质，但 NIK 抑制剂尚未进入临床。为了使用基于片段的 NMR 筛选方法开发变构 NIK 配体，我们报告了一系列变构、片段大小的 NIK 配体的鉴定和开发，这些配体与微摩尔效力和良好的配体效率结合。

  DOI：

  10.1021/acsmedchemlett.3c00429

文献信息

• Syntheses of 4-Aryl Chromanes: A Rearrangement Approach
  作者：Pailla Umareddy、Arava Veera Reddy、L. K. Ravindranath

  DOI：10.1080/00397911.2015.1015140

  日期：2015.5.19

  Abstract 4-Aryl chromanes are synthesized from 4-Aryloxy chromanes via a rearrangement methodology. GRAPHICAL ABSTRACT

  摘要 4-芳基色满由4-芳氧基色满通过重排方法合成。图形概要
• Chromane Derivatives
  申请人：Matsumoto Yukari

  公开号：US20070219237A1

  公开（公告）日：2007-09-20

  This invention relates to compounds of the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 A and B are each as described herein or a pharmaceutically acceptable salt, and compositions containing such compounds and the method of treatment and the use, comprising such compounds for the treatment of a condition mediated by acid pump antagonistic activity such as, but not limited to, as gastrointestinal disease, gastroesophageal disease, gastroesophageal reflux disease (GERD), laryngopharyngeal reflux disease, peptic ulcer, gastric ulcer, duodenal ulcer, NSAID-induced ulcers, gastritis, infection of Helicobacter pylori, dyspepsia, functional dyspepsia, Zollinger-Ellison syndrome, non-erosive reflux disease (NERD), visceral pain, cancer, heartburn, nausea, esophagitis, dysphagia, hypersalivation, airway disorders or asthma.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中：R1、R2、R3、R4、R5、R6、R7、R8A和B分别如本文所述或其药学上可接受的盐，以及含有这种化合物的组合物和治疗方法和使用，包括这种化合物用于治疗由酸泵拮抗活性介导的疾病，例如但不限于胃肠疾病、胃食管疾病、胃食管反流病（GERD）、喉咽反流病、消化性溃疡、胃溃疡、十二指肠溃疡、NSAID引起的溃疡、胃炎、幽门螺杆菌感染、消化不良、功能性消化不良、佐林格-埃利森综合征、非侵蚀性反流病（NERD）、内脏疼痛、癌症、心灼热、恶心、食管炎、吞咽困难、多口水、气道疾病或哮喘。
• Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists
  申请人：Koike Hiroki

  公开号：US20080214519A1

  公开（公告）日：2008-09-04

  This invention relates to compounds of the formula (I): or a pharmaceutically acceptable salt thereof, wherein: A, B, X, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 , R 7 , R 8 and R 9 are each as described herein or a pharmaceutically acceptable salt, and compositions containing such compounds and the use of such compounds in the treatment of a condition mediated by acid pump antagonistic activity such as, but not limited to, as gastrointestinal disease, gastroesophageal disease, gastroesophageal reflux disease (GERD), peptic ulcer, gastric ulcer, duodenal ulcer, NSAID-induced ulcers, gastritis, infection of Helicobacter pylori, dyspepsia, functional dyspepsia, Zollinger-Ellison syndrome, non-erosive reflux disease (NERD), visceral pain, heartburn, nausea, esophagitis, dysphagia, hypersalivation, airway disorders or asthma.

  本发明涉及式(I)的化合物或其药学上可接受的盐，其中：A、B、X、R1、R2、R3、R4、R5和R6、R7、R8和R9分别如本文所述或其药学上可接受的盐，以及包含这种化合物的组合物以及在治疗由酸泵拮抗活性介导的疾病，如但不限于胃肠疾病、胃食管疾病、胃食管反流病（GERD）、消化性溃疡、胃溃疡、十二指肠溃疡、NSAID诱导性溃疡、胃炎、幽门螺杆菌感染、消化不良、功能性消化不良、佐林格-埃里森综合症、非侵蚀性反流性疾病（NERD）、内脏疼痛、心口灼热、恶心、食管炎、吞咽困难、多口水、气道障碍或哮喘等疾病中使用这种化合物的用途。
• Chromane Derivatives Useful As Acid Pump Antagonists
  申请人：Jinno Madoka

  公开号：US20090291977A1

  公开（公告）日：2009-11-26

  This invention relates to compounds of the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R′, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 A and B are each as described herein or a pharmaceutically acceptable salt, and compositions containing such compounds and the method of treatment and the use, comprising such compounds for the treatment of a condition mediated by acid pump antagonistic activity such as, but not limited to, as gastrointestinal disease, gastroesophageal disease, gastroesophageal reflux disease (GERD), peptic ulcer, gastric ulcer, duodenal ulcer, NSAID-induced ulcers, gastritis, infection of Helicobacter pylori , dyspepsia, functional dyspepsia, Zollinger-Ellison syndrome, non-crosive reflux disease (NERD), visceral pain, heartburn, nausea, esophagitis, dysphagia, hypersalivation, airway disorders or asthma.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中：R′、R2、R3、R4、R5、R6、R7、R8A和B分别如本文所述或其药学上可接受的盐，以及含有这种化合物的组合物、治疗方法和使用，包括用于治疗酸泵拮抗活性介导的疾病，如但不限于胃肠疾病、胃食管疾病、胃食管反流病（GERD）、消化性溃疡、胃溃疡、十二指肠溃疡、NSAID所致溃疡、胃炎、幽门螺杆菌感染、消化不良、功能性消化不良、佐林格-埃里森综合征、非腐蚀性反流病（NERD）、内脏疼痛、心口灼热、恶心、食管炎、吞咽困难、多唾液、呼吸道疾病或哮喘。
• Ramadas; David Krupadanam, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 12, p. 1119 - 1122
  作者：Ramadas、David Krupadanam

  DOI：——

  日期：——