3-(dimethylamino)-1-(2-hydroxyphenyl)-2-methylpropan-1-one | 119304-74-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(dimethylamino)-1-(2-hydroxyphenyl)-2-methylpropan-1-one
• CAS: 119304-74-4
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: RVPMVLGLKPQBHA-UHFFFAOYSA-N

物化性质

• 沸点：
  306.7±22.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)-1-(2-hydroxyphenyl)-2-methylpropan-1-one 、 双(咪唑-1-基)亚砜 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-[(E)-3-(dimethylamino)-1-imidazol-1-yl-2-methylprop-1-enyl]phenol 、 2-[(Z)-3-(dimethylamino)-1-imidazol-1-yl-2-methylprop-1-enyl]phenol
  参考文献：
  名称：

  Synthesis and antifungal activity of new 1-vinylimidazoles

  摘要：

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.

  DOI：

  10.1021/jm00391a014
• 作为产物：
  描述：

  聚合甲醛 、 2'-羟基苯丙酮 、 二甲胺 在 盐酸 作用下， 生成 3-(dimethylamino)-1-(2-hydroxyphenyl)-2-methylpropan-1-one
  参考文献：
  名称：

  The Mannich Reaction of 1-(2-Hydroxyphenyl)-1-ethanone, -1-propanone and -1-butanone, and 1-(2-Hydroxy-5-methylphenyl)-2-phen-yl-1-ethanone

  摘要：

  在酸性条件下，标题化合物在甲醛存在下与仲胺反应，通过Ï-氨基甲基化得到相应的马尼奇碱。

  DOI：

  10.1055/s-1988-27725

文献信息

• NOVEL 5-HT2 ANTAGONISTS
  申请人：AnaMar AB

  公开号：EP3109237A1

  公开（公告）日：2016-12-28

  The present invention relates to 1-amidino-3-aryl-2-pyrazoline derivatives of the general formula I The invention specifically relates to such derivatives which exhibit antagonizing activity towards serotonin 5-HT2B receptors. The present invention also relates to use of said compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases, as well as pharmaceutical compositions comprising one or more of said compounds and methods of treatment.

  本发明涉及通式I的1-酰胺基-3-芳基-2-吡唑啉衍生物。该发明具体涉及表现出对5-HT2B受体具有拮抗活性的这类衍生物。本发明还涉及将所述化合物用作药物以及用于治疗纤维化、心血管疾病、疼痛、炎症性肠病和其他炎症性疾病的用途，以及包含一种或多种所述化合物的药物组合物和治疗方法。
• [EN] NOVEL 5-HT2 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES 5-HT2
  申请人：ANAMAR AB

  公开号：WO2016207231A1

  公开（公告）日：2016-12-29

  The present invention relates to 1-amidino-3-aryl-2-pyrazoline derivatives of the general formula I The invention specifically relates to such derivatives which exhibit antagonizing activity towards serotonin 5-HT2B receptors. The present invention also relates to use of said compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases, as well as pharmaceutical compositions comprising one or more of said compounds and methods of treatment.

  本发明涉及通式I的1-酰胺基-3-芳基-2-吡唑啉衍生物。本发明特别涉及具有拮抗5-羟色胺5-HT2B受体活性的这些衍生物。本发明还涉及使用所述化合物作为药物并用于治疗纤维化、心血管疾病、疼痛、炎症性肠病和其他炎症性疾病，以及包含一种或多种所述化合物的制药组合物和治疗方法。
• 5-HT2 antagonists
  申请人：ANAMAR AB

  公开号：US10544103B2

  公开（公告）日：2020-01-28

  Provided are 1-amidino-3-aryl-2-pyrazoline derivatives which exhibit antagonizing activity towards serotonin 5-HT 2B receptors and pharmaceutical compositions containing these derivatives. Also provided is the use of the compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases.

  本研究提供了对5-羟色胺5-HT 2B受体具有拮抗活性的1-脒基-3-芳基-2-吡唑啉衍生物以及含有这些衍生物的药物组合物。还提供了这些化合物作为药物和治疗纤维化、心血管疾病、疼痛、IBD 和其他炎症性疾病的用途。
• The Mannich Reaction of 1-(2-Hydroxyphenyl)-1-ethanone, -1-propanone and -1-butanone, and 1-(2-Hydroxy-5-methylphenyl)-2-phen-yl-1-ethanone
  作者：S. J. Joglekar、S. D. Samant

  DOI：10.1055/s-1988-27725

  日期：——

  The title compounds on reaction with secondary amines in the presence of formaldehyde under acidic condition, gave the corresponding Manich bases by ω-aminomethylation.

  在酸性条件下，标题化合物在甲醛存在下与仲胺反应，通过Ï-氨基甲基化得到相应的马尼奇碱。
• Synthesis and antifungal activity of new 1-vinylimidazoles
  作者：Masaru Ogata、Hiroshi Matsumoto、Sumio Shimizu、Shiro Kida、Motoo Shiro、Katsuya Tawara

  DOI：10.1021/jm00391a014

  日期：1987.8

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.