7-Ethyl-2,3-dihydro-1-benzofuran | 128710-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 7-Ethyl-2,3-dihydro-1-benzofuran
• CAS: 128710-45-2
• 化学式: C₁₀H₁₂O
• 分子量: 148.205
• InChiKey: WOXWIPMATDCQCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  乙基苯酚 在 sodium hydroxide 、 正丁基锂 、 溴 、 potassium bromide 作用下， 反应 1.5h， 生成 7-Ethyl-2,3-dihydro-1-benzofuran
  参考文献：
  名称：

  A carbon-13 NMR study of the 1:1 hydrogen bond between trifluoroacetic acid and aromatic ethers in deuteriochloroform

  摘要：

  From the measured values of the equilibrium constants and C-13 NMR shift changes for 1:1 hydrogen bonding of trifluoroacetic acid with 2-alkyl- and 2,6-dialkylanisoles and 7-alkyl-2,3-dihydrobenzofurans in deuteriochloroform, conclusions are drawn concerning the stereochemistries of the hydrogen bonded complexes. The data indicate that hydrogen bonding of the planar 2-alkylanisoles may involve rotation of the methoxy group about the Ar-OCH3 bond, the rotational angles ranging from 13-degrees (anisole) to 43-degrees (tert-butylanisole). The values of log K1 correlate roughly with the torsional potential for methoxy group rotation in anisole, recently obtained by means of quantum mechanics, and with the angle-dependent electron densities at the methoxy oxygens that have been calculated for these o-alkylanisoles. The equilibrium constants for hydrogen bonding of the 2,6-dialkylanisoles also follow the predicted order of increasing methoxy oxygen electronic charge. The results for the rotationally rigid 2,3-dihydrobenzofurans are compatible with preferential involvement of the oxygen sp2 lone electron pair in hydrogen bond formation.

  DOI：

  10.1021/jo00002a026

文献信息

• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME
  申请人：Yamashita Dennis

  公开号：US20120245181A1

  公开（公告）日：2012-09-27

  This application describes compounds that can act as opioid receptor ligands, which compounds can be used in the treatment of, for example, pain and pain related disorders.

  这种应用描述了可以作为阿片受体配体的化合物，这些化合物可以用于治疗例如疼痛和与疼痛相关的疾病。
• Therapeutic Compounds: Pyridine as Scaffold
  申请人：Amin Kosrat

  公开号：US20070225292A1

  公开（公告）日：2007-09-27

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 , R 4 , n and A are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  式I的化合物或其药学上可接受的盐：其中R1，R2，R3，R4，n和A的定义如规范中所述，以及包括该化合物的盐和制备的药物组合物。它们在治疗中有用，特别是在疼痛管理方面。
• Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof
  申请人：Paris Daniel

  公开号：US20080058330A1

  公开（公告）日：2008-03-06

  Provided are compounds which can be used in combination for treating diseases associated with a condition associated with cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of compounds which in combination can decrease β-amyloid production and capacitative calcium entry in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of the compounds.

  提供了一些化合物，可以组合使用来治疗与阿尔茨海默病淀粉样蛋白相关的疾病，如阿尔茨海默病。还提供了一种方法，通过给予治疗有效量的化合物组合来减少β-淀粉样蛋白的产生和细胞中的电容性钙离子进入，从而治疗或降低发生β-淀粉样蛋白产生、β-淀粉样蛋白沉积、β-淀粉样蛋白神经毒性（包括tau异常过度磷酸化）和与阿尔茨海默病淀粉样蛋白相关的微胶质病变。此外，还提供了一种方法，通过给予诊断有效量的化合物来诊断动物或人类中与阿尔茨海默病淀粉样蛋白相关的疾病。
• Compounds for inhibiting beta-amyloid production and methods of identifying the compounds
  申请人：Mullan J. Michael

  公开号：US20070037855A1

  公开（公告）日：2007-02-15

  Provided are compounds useful for treating diseases associated with a cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods for screening for such compounds, by measuring capacitative calcium entry in cells which optionally overexpress APP or a fragment thereof. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of compounds which decrease β-amyloid production and capacitative calcium entry in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of compounds which inhibit capacitative calcium entry in cells.

  提供的化合物可用于治疗与阿尔茨海默淀粉样蛋白在大脑中积累有关的疾病，例如阿尔茨海默病。还提供了筛选此类化合物的方法，通过测量细胞中的电容性钙离子进入，其中细胞可以选择性地过度表达APP或其片段。还提供了通过给予治疗有效量的化合物来治疗或降低β-淀粉样蛋白产生、β-淀粉样蛋白沉积、β-淀粉样蛋白神经毒性（包括tau的异常高磷酸化）和与阿尔茨海默淀粉样蛋白在大脑中积累有关的微胶质细胞增生的方法。此外，还提供了通过给动物或人类施用诊断有效量的抑制电容性钙离子进入细胞的化合物来诊断与阿尔茨海默淀粉样蛋白在大脑中积累有关的疾病的方法。