甲喹酚嗪杂质 | 144827-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 中文名称: 甲喹酚嗪杂质
• 英文名称: 10-(3-hydroxy-1-azabicyclo[2.2.2]oct-3-ylmethyl)phenothiazine
• 英文别名: 1-Azabicyclo[2.2.2]octan-3-ol, 3-(10H-phenothiazin-10-ylmethyl)-；3-(phenothiazin-10-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
• CAS: 144827-80-5
• 化学式: C₂₀H₂₂N₂OS
• 分子量: 338.473
• InChiKey: PNBTYAVTIJXSSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-奎宁环酮 、 potassium salt of phenothiazine 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 生成 甲喹酚嗪杂质
  参考文献：
  名称：

  Highly pure phenothiazine compound, production method thereof, production method of intermediate therefor, and hydrate and novel crystal as starting materials for the intermediate

  摘要：

  根据本发明的方法，按特定顺序加入碱金属化合物、二甲基亚砜、三甲氧硫代铵卤化物和3-喹啉酮，得到以下化合物【II】。这种化合物直接与苯并噻嗪的碱金属盐反应，得到以下化合物【III】，从中得到化合物【I】。在生产化合物【I】的过程中，除去产生的酸性气体并加入水，确保在不断高产率下工业化、安全和高效地生产化合物【I】。由于本发明能够通过在甘油醚中消除化合物【I】的氢卤酸，以及在存在氢氧化钾和钾烷氧化物中至少选择一种碱的情况下得到以下高纯度的化合物【A】，化合物【A】的纯度不低于85摩尔％。

  公开号：

  US06433168B1

文献信息

• Process for the preparation of a highly pure phenothiazine compound
  申请人：SUMIKA FINE CHEMICALS Co., Ltd.

  公开号：EP1074552A2

  公开（公告）日：2001-02-07

  According to the method of the present invention, an alkali metal compound, dimethyl sulfoxide, trimethyloxosulfonium halide and 3-quinuclidinone are added in a specific order to give the following compound [II]. This compound is, without treatment or isolation, directly reacted with an alkali metal salt of phenothiazine to give the following compound [III], from which the following compound [I] is obtained. During the production of compound [I], a by-produced acidic gas is removed and water is added to ensure industrial, safe and efficient production of compound [I] at a constantly high yield. Inasmuch as the present invention enables production of the following highly pure compound [A] by eliminating hydrogen halide of compound [I] in glyme in the presence of at least one kind of a base selected from potassium hydroxide and potassium alkoxide, compound [A] having a high purity of not less than 85 mol% can be provided.

  根据本发明的方法，按特定顺序加入碱金属化合物、二甲基亚砜、三羟甲基锍卤化物和 3-奎宁环酮，得到下列化合物[II]。该化合物不经处理或分离，直接与吩噻嗪的碱金属盐反应，得到以下化合物[III]，并由此得到以下化合物[I]。在生产化合物[I]的过程中，要除去副产的酸性气体，并加入水，以确保工业化、安全和高效地生产化合物[I]，并保持较高的产率。由于本发明可以在至少一种从氢氧化钾和氧化钾中选出的碱存在下，通过在甘汞中消除化合物[I]的卤化氢来生产下列高纯度化合物[A]，因此可以提供纯度不低于 85 摩尔%的高纯度化合物[A]。
• US6433168B1
  申请人：——

  公开号：US6433168B1

  公开（公告）日：2002-08-13
• Highly pure phenothiazine compound, production method thereof, production method of intermediate therefor, and hydrate and novel crystal as starting materials for the intermediate
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US06433168B1

  公开（公告）日：2002-08-13

  According to the method of the present invention, an alkali metal compound, dimethyl sulfoxide, trimethyloxosulfonium halide and 3-quinuclidinone are added in a specific order to give the following compound [II]. This compound is, without treatment or isolation, directly reacted with an alkali metal salt of phenothiazine to give the following compound [III], from which the following compound [I] is obtained. During the production of compound [I], a by-produced acidic gas is removed and water is added to ensure industrial, safe and efficient production of compound [I] at a constantly high yield. Inasmuch as the present invention enables production of the following highly pure compound [A] by eliminating hydrogen halide of compound [I] in glyme in the presence of at least one kind of a base selected from potassium hydroxide and potassium alkoxide, compound [A] having a high purity of not less than 85 mol % can be provided.

  根据本发明的方法，按特定顺序加入碱金属化合物、二甲基亚砜、三甲氧硫代铵卤化物和3-喹啉酮，得到以下化合物【II】。这种化合物直接与苯并噻嗪的碱金属盐反应，得到以下化合物【III】，从中得到化合物【I】。在生产化合物【I】的过程中，除去产生的酸性气体并加入水，确保在不断高产率下工业化、安全和高效地生产化合物【I】。由于本发明能够通过在甘油醚中消除化合物【I】的氢卤酸，以及在存在氢氧化钾和钾烷氧化物中至少选择一种碱的情况下得到以下高纯度的化合物【A】，化合物【A】的纯度不低于85摩尔％。