1-cyclopropyl-pentane-1,3-dione | 90482-23-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclopropyl-pentane-1,3-dione
• 英文别名: 1-Cyclopropyl-pentan-1,3-dion；1-Cyclopropyl-1,3-pentanedione；1-Cyclopropylpentane-1,3-dione
• CAS: 90482-23-8
• 化学式: C₈H₁₂O₂
• mdl: MFCD11188870
• 分子量: 140.182
• InChiKey: OWEWZFCREOKWIV-UHFFFAOYSA-N

物化性质

• 沸点：
  78-79 °C(Press: 8 Torr)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氧代戊酸 、 环丙甲酸 在 magnesium 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 N,N'-羰基二咪唑 为溶剂， 生成 1-cyclopropyl-pentane-1,3-dione
  参考文献：
  名称：

  Pyrazole derivatives

  摘要：

  这项发明涉及式(I)1的吡唑衍生物或药学上可接受的盐、溶剂合物或衍生物，以及其制备方法、用于其制备的中间体、含有它们的组合物和这些衍生物的用途。本发明的化合物与酶逆转录酶结合，并且是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病方面具有用途，包括那些涉及逆转录酶抑制的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。

  公开号：

  US20030100554A1

文献信息

• Method For Producing Pyrimidinylpyrazole Compounds
  申请人：Fukunishi Hirotada

  公开号：US20120283441A1

  公开（公告）日：2012-11-08

  The present invention provides a method for producing a pyrimidinylpyrazole compound (1), wherein aminoguanidine (2) or its salt is reacted with a β-diketone compound (3) to produce the pyrimidinylpyrazole compound: wherein R 1 and R 3 are each independently an alkyl group having 1 to 4 carbon atoms, and R 2 is a hydrogen atom or an alkyl group having 1 to 4 carbon atoms. The method is excellent in the environmental compatibility and economic efficiency.

  本发明提供了一种生产嘧啶基吡唑化合物（1）的方法，其中氨基胍（2）或其盐与β-二酮化合物（3）反应，以产生嘧啶基吡唑化合物：其中R1和R3分别独立地是具有1至4个碳原子的烷基基团，而R2是氢原子或具有1至4个碳原子的烷基基团。该方法在环境兼容性和经济效益方面表现出色。
• Heterocyclic cyclopropyl-substituted FXR binding compounds
  申请人：Phenex Pharmaceuticals AG

  公开号：EP2128158A1

  公开（公告）日：2009-12-02

  The present invention relates to compounds defined by formula (I): or an enantiomer, diastereomer, tautomer, solvate or pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently from each other selected from hydrogen, fluorine and C1-C3 alkyl; X is which bind to the NR1H4 receptor (FXR) and act as agonists of the NR1H4 receptor (FXR). The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds, such as the prophylaxis and/or treatment of chronic intrahepatic or some forms of extrahepatic cholestatic conditions, liver fibrosis resulting from chronic cholestatic conditions, acute intraheptic cholestatic conditions, obstructive or chronic inflammatory disorders that arise out of improper bile composition, gastrointestinal conditions with a reduced uptake of dietary fat and fat-soluble dietary vitamins, inflammatory bowel diseases, lipid and lipoprotein disorders, Type II Diabetes, clinical complications of Type I and Type II Diabetes.

  本发明涉及由式（I）定义的化合物： 其中R1和R2独立地选自氢，氟和C1-C3烷基；X是 它们与NR1H4受体（FXR）结合，并作为NR1H4受体（FXR）的激动剂。本发明还涉及利用这些化合物制备药物，用于通过这些化合物与所述核受体结合治疗疾病和/或病情，例如预防和/或治疗慢性肝内或某些形式的肝外胆汁淤积症、由慢性胆汁淤积症引起的肝纤维化、急性肝内胆汁淤积症、由不当胆汁组成引起的阻塞性或慢性炎症性疾病、膳食脂肪和脂溶性膳食维生素吸收减少的胃肠道疾病、炎症性肠病、脂质和脂蛋白紊乱、2型糖尿病、1型和2型糖尿病的临床并发症。
• [EN] PYRAZOLE DERIVATIVES FOR TREATING HIV<br/>[FR] DERIVES DE PYRAZOLE POUR LE TRAITEMENT DE VIH
  申请人：PFIZER LTD

  公开号：WO2002085860A1

  公开（公告）日：2002-10-31

  This invention relates to pyrazole derivatives of the formula, or pharmaceutically acceptable salts, solvates or derivative thereofs, wherein R1 to R4 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implacated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Aquired Immune Deficiency Syndrome (AIDS).

  本发明涉及以下式的吡唑衍生物或其药学上可接受的盐、溶剂或衍生物，其中R1至R4在说明中有定义，以及其制备过程、用于其制备的中间体、含有它们的组合物和这些衍生物的用途。本发明化合物结合酶逆转录酶并且是其调节剂，特别是抑制剂。因此，本发明化合物在治疗各种疾病方面是有用的，包括那些需要抑制逆转录酶的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和基因相关的逆转录病毒引起的疾病，例如获得性免疫缺陷综合症（AIDS）。
• Pyrazole Derivatives
  申请人：Jones Lyn Howard

  公开号：US20120029192A1

  公开（公告）日：2012-02-02

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such, the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）的吡唑衍生物或其药学上可接受的盐，溶剂或衍生物，以及其制备方法，用于制备中间体的组合物和这些衍生物的用途。本发明的化合物结合酶逆转录酶并且是调节剂，特别是抑制剂。因此，本发明的化合物在治疗包括逆转录酶抑制剂在内的多种疾病方面是有用的。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，例如获得性免疫缺陷综合症（AIDS）。
• PYRAZOLE DERIVATIVES
  申请人：JONES Lyn Howard

  公开号：US20090215712A1

  公开（公告）日：2009-08-27

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereofs, wherein R1 to R4 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodeficiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）的吡唆烷衍生物或其药学上可接受的盐、溶剂或衍生物，其中R1到R4在描述中定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。本发明化合物与酶反转录酶结合，并且是调节剂，特别是抑制剂。因此，本发明化合物在治疗多种疾病中有用，包括那些与反转录酶抑制有关的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关的逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。