1-(2-ethoxyphenyl)-2,2-dimethylpropan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-ethoxyphenyl)-2,2-dimethylpropan-1-one
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: QXLCPNYFXBXGLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-ethoxyphenyl)-2,2-dimethylpropan-1-one 在 ammonia borane 、 C₆₈H₆₅O₄PSi₂ 、 水 作用下， 以 二硫化碳 为溶剂， 反应 12.0h， 以77%的产率得到
  参考文献：
  名称：

  氨硼烷催化手性磷酸催化大体积芳基酮的不对称转移加氢

  摘要：

  以手性磷酸（CPA）为催化剂，水为添加剂，成功实现了氨硼烷对大体积芳基酮的不对称转移加氢反应。以高至高收率获得了多种旋光仲醇，ee高达77％。该反应可能是通过布朗斯台德酸促进的双氢在酮和氨硼烷之间的六元一致过渡态转移而进行的。

  DOI：

  10.1016/j.tetlet.2019.151394
• 作为产物：
  描述：

  邻乙氧基苯甲酰氯 、 叔丁基锂 在 溴化亚铜二甲硫醚 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 1-(2-ethoxyphenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  氨硼烷催化手性磷酸催化大体积芳基酮的不对称转移加氢

  摘要：

  以手性磷酸（CPA）为催化剂，水为添加剂，成功实现了氨硼烷对大体积芳基酮的不对称转移加氢反应。以高至高收率获得了多种旋光仲醇，ee高达77％。该反应可能是通过布朗斯台德酸促进的双氢在酮和氨硼烷之间的六元一致过渡态转移而进行的。

  DOI：

  10.1016/j.tetlet.2019.151394

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESTLESS LEG SYNDROME AND FIBROMYALGIA
  申请人：KANDULA Mahesh

  公开号：US20150133408A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of fibromyalgia, restless leg syndrome may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of motor neurone disease, diabetic neuropathy, postherpetic neuralgia, acute opioid withdrawal management, obsessive-compulsive disorder, premature ejaculation, PTSD, injury, post-operative pain, osteoarthritis, rheumatoid arthritis, multiple sclerosis, spinal cord injury, migraine, HIV related neuropathic pain, bipolar depression, depression, stress, cancer pain and lower back pain.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于纤维肌痛、不安腿综合征的治疗方法可以制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射。这些组合物可用于治疗运动神经元疾病、糖尿病神经病变、带状疱疹后神经痛、急性阿片类药物戒断管理、强迫症、早泄、创伤后应激障碍、创伤、术后疼痛、骨关节炎、类风湿性关节炎、多发性硬化、脊髓损伤、偏头痛、艾滋病相关神经病痛、双相抑郁症、抑郁症、压力、癌症疼痛和腰背痛的治疗。
• Benzoxazole Derivatives Having Inhibitory Activity Against Interleukin-6, Preparation Method Thereof, and Pharmaceutical Composition Containing the Same
  申请人：Park Choo Hea Young

  公开号：US20130090480A1

  公开（公告）日：2013-04-11

  The present invention relates to benzoxazole derivatives represented by the Formula 1, which has an inhibitory activity against interleukin-6 (IL-6), a method for preparation thereof, and a pharmaceutical composition containing the same. The compound represented by the Formula 1 according to the present invention has a superior inhibitory activity against interleukin-6, and therefore, can be practically applied for prevention and treatment of diseases caused by abnormal interleukin-6 activity.

  本发明涉及由公式1表示的苯并噁唑衍生物，其具有对白细胞介素-6（IL-6）的抑制活性，以及其制备方法和含有该化合物的药物组合物。根据本发明的公式1所表示的化合物具有优越的抑制白细胞介素-6的活性，因此，可以实际应用于预防和治疗由异常白细胞介素-6活性引起的疾病。
• Piperidine isoxazole and isothiazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10017504B2

  公开（公告）日：2018-07-10

  The present invention is directed to piperidine isoxazole and isothiazole orexin compounds which are antagonists of orexin receptors. Such compounds are of the general structural formula I: wherein the variables are defined herein. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及哌啶异恶唑和异噻唑奥曲肽化合物，它们是奥曲肽受体的拮抗剂。此类化合物的结构通式为 I： 其中变量的定义见本文。 本发明还涉及本文所述化合物在潜在治疗或预防涉及奥曲肽受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170327490A1

  公开（公告）日：2017-11-16

  The present invention is directed to piperidine isoxazole and isothiazole orexin compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12