1-(2-Ethylphenyl)-2,2-dimethylpropan-1-one | 147394-42-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Ethylphenyl)-2,2-dimethylpropan-1-one
• 英文别名: 1-(2-Ethyl-phenyl)-2,2-dimethyl-propan-1-one
• CAS: 147394-42-1
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: ASJZWTIVOCRZLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-Ethylphenyl)-2,2-dimethylpropan-1-one 在 2,2,6,6-tetramethylpiperidinyl-lithium 作用下， 以 氯仿 为溶剂， 反应 23.0h， 生成 3,3,4-Trimethyl-3,4-dihydro-1H-2-benzopyran-1-one
  参考文献：
  名称：

  Kobayashi, Kazuhiro; Konishi, Atsushi; Kanno, Yoshikazu, Journal of the Chemical Society. Perkin transactions I, 1993, # 1, p. 111 - 116

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基-1-(2-甲基苯基)-1-丙醇 在 Celite 、 pyridinium chlorochromate 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 反应 12.08h， 生成 1-(2-Ethylphenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Kobayashi, Kazuhiro; Konishi, Atsushi; Kanno, Yoshikazu, Journal of the Chemical Society. Perkin transactions I, 1993, # 1, p. 111 - 116

  摘要：

  DOI：

文献信息

• A New Synthesis of 3-Isochromanone Derivatives Based on the Reaction of<i>o</i>-Acylbenzyllithiums with Ethyl Chloroformate
  作者：Kazuhiro Kobayashi、Tohru Mannami、Masataka Kawakita、Junsuke Tokimatsu、Hisatoshi Konishi

  DOI：10.1246/bcsj.67.582

  日期：1994.2

  A new method for the preparation of 3-isochromanone derivatives is reported. The method consists of the ethoxycarbonylation of o-acylbenzyllithiums with ethyl chloroformate and the subsequent NaBH4...

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  公开（公告）日：2011-12-01

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  申请人：KUDUK Scott D.

  公开号：US20160016935A1

  公开（公告）日：2016-01-21

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  本发明涉及2-吡啶氧基-4-醚类化合物，其为促进睡眠荷尔蒙受体的拮抗剂。本发明还涉及使用此处所述的2-吡啶氧基-4-醚类化合物在潜在的神经和精神障碍和疾病的治疗或预防中，其中促进睡眠荷尔蒙受体发挥作用。本发明还涉及包含这些化合物的药物组合物。本发明还涉及使用这些药物组合物在预防或治疗促进睡眠荷尔蒙受体发挥作用的疾病中。
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  公开号：US20150376162A1

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