1-丁酮,1-(2,4-二羟基苯基)-3-甲基- | 15116-14-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-丁酮,1-(2,4-二羟基苯基)-3-甲基-
• 中文别名: 1-(2,4-二羟基苯基)-3-甲基-1-丁酮
• 英文名称: 2,4-dihydroxyphenyl isobutyl ketone
• 英文别名: 1-(2,4-dihydroxy-phenyl)-3-methyl-butan-1-one；1-(2,4-Dihydroxy-phenyl)-3-methyl-butan-1-on；(2,4-dihydroxyphenyl)(2-methylpropyl) ketone；(2,4-dihydroxyphenyl)(2-methylpropyl)-ketone；1-(2,4-dihydroxyphenyl)-3-methylbutan-1-one
• CAS: 15116-14-0
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00068807
• 分子量: 194.23
• InChiKey: AFLATBREDGLLKS-UHFFFAOYSA-N

物化性质

• 熔点：
  73 °C
• 沸点：
  342.5±12.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-丁酮,1-(2,4-二羟基苯基)-3-甲基- 在 sodium hydroxide 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 (+/-)-3-hydroxymethyl-3-isopropyl-7-methoxychroman-4-one
  参考文献：
  名称：

  Synthesis and lipase-mediated stereoselective deacetylation of (±)-3-acetoxymethyl-3-alkyl-7-methoxychroman-4-ones

  摘要：

  Six (+/-)-3-acetoxymethyl-3-alkyl-7-methoxychroman-4-ones have been synthesized in four steps starting with the coupling of resorcinol with corresponding aliphatic acid leading to the formation of 2,4-dihydroxyphenyl alkyl ketones, which upon monomethylation and hydroxymethylation, followed by acetylation afforded the racemic acetoxymethylated compounds in 17-30% overall yields. Candida rugosa lipase-catalyzed deacetylation of (+/-)-3-acetoxymethylchromanones in diisopropyl ether exhibited fairly moderate enantioselectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00698-6
• 作为产物：
  描述：

  2,4-Dihydroxy-5-isovaleryl-benzoesaeure-methylester 在 喹啉 、 铜 作用下， 生成 1-丁酮,1-(2,4-二羟基苯基)-3-甲基-
  参考文献：
  名称：

  Nickl, Chemische Berichte, 1959, vol. 92, p. 1989,1994

  摘要：

  DOI：

文献信息

• IMIDAZOLE CARBOXAMIDES
  申请人：Khilevich Albert

  公开号：US20100016373A1

  公开（公告）日：2010-01-21

  The present invention provides certain imidazole carboxamide derivatives, pharmaceutical compositions thereof, methods of using the same and processes for preparing the same.

  本发明提供了某些咪唑羧酰胺衍生物，其药物组合物，使用方法以及制备方法。
• Polyhydroxyphenol derivatives and preventive and therapeutic agents for bone and cartilage diseases containing the same
  申请人：Hoechst Marion Roussel

  公开号：US06177474B1

  公开（公告）日：2001-01-23

  Compounds useful as preventive and therapeutic agents for bone and cartilage diseases; and drug compositions containing the same. The compounds are polyhydroxyphenol derivatives of general formula (I) and quinione analogues derived therefrom (wherein R1 is alkyl, optionally substituted benzyl or optionally substituted aryl; R2 is hydrogen, alkyl, alkenyl or optionally substituted benzyl; R3 is hydrogen, alkyl, alkenyl, optionally substituted benzyl, hydroxyl, alkoxy, alkenyloxy or optionally substituted benzyloxy; R4 is hydrogen, alkyl, alkenyl, optionally substituted benzyl or hydroxyl; and R5 and R6 are each independently hydrogen, alkyl, alkenyl or optionally substituted benzyl). The polyhydroxyphenol derivatives and the quinone analogues exhibit a potent inhibitory activity against bone resorption and are useful as preventive and therapeutic agents for bone and cartilage diseases.

  具有预防和治疗骨骼和软骨疾病作用的化合物；以及含有这些化合物的药物组合物。这些化合物是通式(I)的多羟基酚衍生物和由此衍生的醌类似物（其中R1是烷基、可选择取代的苄基或可选择取代的芳基；R2是氢、烷基、烯烃基或可选择取代的苄基；R3是氢、烷基、烯烃基、可选择取代的苄基、羟基、烷氧基、烯烯氧基或可选择取代的苄氧基；R4是氢、烷基、烯烃基、可选择取代的苄基或羟基；而R5和R6各自独立地是氢、烷基、烯烃基或可选择取代的苄基）。这些多羟基酚衍生物和醌类似物表现出强大的抑制骨吸收活性，并且可用作预防和治疗骨骼和软骨疾病的药物。
• [EN] IMIDAZOLE CARBOXAMIDES<br/>[FR] IMIDAZOLE CARBOXAMIDES
  申请人：LILLY CO ELI

  公开号：WO2010009062A1

  公开（公告）日：2010-01-21

  The present invention provides certain imidazole carboxamide derivatives, pharmaceutical compositions thereof, methods of using the same for preparing a medicament useful in the treatment of conditions associated with the mGluR2 receptor, such as depression and anxiety, and processes of the following Formula (I) for preparing the same.

  本发明提供了某些咪唑羧酰胺衍生物，其药物组合物，使用它们制备用于治疗与mGluR2受体相关的疾病，如抑郁症和焦虑症的药物，以及用于制备它们的以下公式（I）的方法。
• Acetophenone potentiators of metabotropic glutamate receptors
  申请人：Cube V. Rowena

  公开号：US20050288346A1

  公开（公告）日：2005-12-29

  The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及激活型代谢型谷氨酸受体的化合物，包括mGluR2受体，适用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型谷氨酸受体的疾病。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗涉及代谢型谷氨酸受体的疾病。
• Imidazole carboxamides
  申请人：Eli Lilly and Company

  公开号：US07754742B2

  公开（公告）日：2010-07-13

  The present invention provides certain imidazole carboxamide derivatives, pharmaceutical compositions thereof, methods of using the same and processes for preparing the same.

  本发明提供了某些咪唑羧酰胺衍生物、其制药组合物、使用方法以及制备方法。