4-methyldihydro-2H-pyran-3(4H)-one | 60467-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 4-methyldihydro-2H-pyran-3(4H)-one
• 英文别名: 4-methyl-dihydro-pyran-3-one；4-Methyloxan-3-one
• CAS: 60467-47-2
• 化学式: C₆H₁₀O₂
• 分子量: 114.144
• InChiKey: GFWHGAFJBLCUAE-UHFFFAOYSA-N

物化性质

• 沸点：
  58-60 °C(Press: 20 Torr)
• 密度：
  1.0474 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  4-methyldihydro-2H-pyran-3(4H)-one 、 肼基甲酸叔丁酯 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 、 dichloroethenane, 1,2- 为溶剂， 反应 0.5h， 生成 (+/-)-cis,trans-tert-butyl-2-[4-methyltetrahydro-2H-pyran-3-yl] hydrazinecarboxylate
  参考文献：
  名称：

  [EN] PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE TYPE PYRAZOLO[4,3-C]CINNOLIN-3-ONE

  摘要：

  本发明涉及式(I)的吡唑并[4,3-c]咖啉-3-酮化合物，这些化合物是M1受体阳性变构调节剂，并且在治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍方面有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗由M1受体介导的疾病中使用这些化合物和组合物。

  公开号：

  WO2010096338A1
• 作为产物：
  描述：

  四氢-2H-吡喃-3-酮 在 palladium 10% on activated carbon 、 氢气 作用下， 以 丙酮 、 甲苯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 66.0h， 生成 4-methyldihydro-2H-pyran-3(4H)-one
  参考文献：
  名称：

  酮的选择性 α-甲基化

  摘要：

  描述了用于酮的两步 α-甲基化的方便且可扩展的制备方法。开发了区域选择性制备烯胺酮的优化方案，具有进一步的非对映选择性和官能团耐受氢化成 α-甲基酮。讨论了所提议方法的范围和局限性。证明了与已知程序相比的优点。暗示了丙酮在氢化中的意想不到的作用。显示了对早期构建块合成和后期 CH 功能化方法的评估。复杂程序的可制备性和可扩展性通过合成高达 100 g 的几种 α-甲基酮来证明。

  DOI：

  10.1021/acs.joc.1c00148

文献信息

• PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Beshore Douglas C.

  公开号：US20110301167A1

  公开（公告）日：2011-12-08

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体介导的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物治疗M1受体介导的疾病的方法。
• PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Beshore Douglas C.

  公开号：US20130102599A1

  公开（公告）日：2013-04-25

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，其为M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，例如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含该化合物的制药组合物，以及在治疗M1受体介导的疾病中使用该化合物和组合物的方法。
• PRODUCTION METHOD FOR 1, 4-BUTANEDIOL
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2857377A1

  公开（公告）日：2015-04-08

  An object of the present invention is to provide high-quality 1,4BG capable of working out to a raw material of PBT with good color tone, by efficiently removing and refining impurities mixed when producing a biomass-derived 1,4BG on an industrial scale. The present invention relates to a production method of refined 1,4BG, where a crude 1,4BG-containing solution is obtained from refined raw material 1,4BG obtained by removing bacterial cells, salt contents and water from the fermentation culture medium, through a step of removing high-boiling-point components and/or low-boiling-point components by distillation and/or a step of converting an unsaturated compound to a hydride and the target product is obtained as a side stream in a further distillation step.

  本发明的目的是通过有效地去除和精制工业化生产生物质衍生 1,4BG 时混入的杂质，提 供能够加工成色调良好的 PBT 原料的高质量 1,4BG。本发明涉及一种精制 1,4BG的生产方法，其中通过蒸馏去除高沸点成分和/或低沸点成分的步骤和/或将不饱和化合物转化为氢化物的步骤，从精制原料 1,4BG 中去除细菌细胞、盐含量和发酵培养基中的水分，得到含 1,4BG 的粗溶液，并在进一步的蒸馏步骤中作为侧流得到目标产品。
• POLYESTER AND POLYURETHANE PRODUCTION METHOD
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2862886A1

  公开（公告）日：2015-04-22

  At the time of producing a polyester by using a dicarboxylic acid component and a biomass-resource-derived diol as raw materials, a polyester is efficiently produced with good color tone. As the raw material diol derived from biomass resources, a diol in which the content of a cyclic carbonyl compound having a carbon atom number of 5 or 6 is from 0.01 to 12 ppm by mass, is used. By controlling the content of a cyclic carbonyl compound having a carbon atom number of 5 or 6 in the raw material diol to fall in a prescribed range, the color tone of the polyester is improved.

  使用二羧酸组分和生物质资源衍生的二元醇作为原料生产聚酯时，可高效生产出色调良好的聚酯。作为从生物质资源中提取的二元醇原料，使用了一种碳原子数为 5 或 6 的环状羰基化合物含量为 0.01 至 12 ppm（按质量计）的二元醇。通过控制原料二元醇中碳原子数为 5 或 6 的环羰基化合物的含量在规定范围内，聚酯的色调得到改善。
• Production methods of polyester and polyurethane
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US10450404B2

  公开（公告）日：2019-10-22

  At the time of producing a polyester by using a dicarboxylic acid component and a biomass-resource-derived diol as raw materials, a polyester is efficiently produced with good color tone, as the raw material diol derived from biomass resources, a diol in which the content of a cyclic carbonyl compound having a carbon atom number of 5 or 6 is from 0.01 to 12 ppm by mass, is used, and by controlling the content of a cyclic carbonyl compound having a carbon atom number of 5 or 6 in the raw material diol to fall in a prescribed range, the color tone of the polyester is improved.

  在使用二羧酸组分和生物质资源衍生的二元醇作为原料生产聚酯时，由于原料二元醇来自生物质资源，其中具有碳原子数为 5 或 6 的环状羰基化合物的含量为 0.通过将原料二元醇中碳原子数为 5 或 6 的环羰基化合物的含量控制在规定范围内，可改善聚酯的色调。