3-(4-bromobutyl)-1-thia-3-azaspiro[5.4]decan-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 3-(4-bromobutyl)-1-thia-3-azaspiro[5.4]decan-4-one
• 英文别名: 8-(4-bromobutyl)-6-thia-8-azaspiro[4.5]decan-9-one
• 化学式: C₁₂H₂₀BrNOS
• 分子量: 306.267
• InChiKey: IFFNUDUTCWTEGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,5-二碘戊烷 、 3-(4-bromobutyl)-4-thiazolidinone 在 盐酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 3-(4-bromobutyl)-1-thia-3-azaspiro[5.4]decan-4-one
  参考文献：
  名称：

  3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related

  摘要：

  公式中披露了化合物，其中n为0、1或2；A为其中X在每次出现时独立地为氢、卤素、较低烷基、羟基、硝基、较低烷氧基、氨基、氰基、三氟甲基或甲硫基；Y在每次出现时独立地为氢、卤素、较低烷基、羟基、硝基、较低烷氧基、氨基、氰基、三氟甲基或甲硫基；m为1或2；k为1或2；R.sub.1和R.sub.2独立地为氢、较低烷基、或芳基，但当R.sub.1为或芳基时，R.sub.2为氢，或者R.sub.1 +R.sub.2与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、茚或哌啶环；R.sub.3和R.sub.4独立地为氢或较低烷基，或者R.sub.3 +R.sub.4与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、吡咯烷或哌啶环，术语芳基表示未取代的苯基或一个苯基，其上取代基为1、2或3个，每个取代基独立地为较低烷基、较低烷氧基、羟基、卤素、较低烷硫基、氰基、氨基或三氟甲基，这些化合物可用作抗精神病、镇痛、抗癫痫和抗焦虑药物。

  公开号：

  US05229388A1

文献信息

• 3-[4-(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinone compounds
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04933453A1

  公开（公告）日：1990-06-12

  3-[4-1-substituted-4-piperazinyl)butyl]-4-thiazolidinone compounds which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  这是一种3-[4-1-取代基-4-哌嗪基)丁基]-4-噻唑啉酮化合物，可用作抗精神病、镇痛、抗惊厥和抗焦虑药物。
• 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone compounds
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US05037984A1

  公开（公告）日：1991-08-06

  There are disclosed compounds of the formula ##STR1## where n is 0 or 1; A is ##STR2## where X in each occurrence is independently hydrogen, halogen, loweralkyl hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; Y in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; m is 1 or 2; k is 1 or 2; R.sub.1 and R.sub.2 are independently hydrogen, loweralkyl, ##STR3## or aryl except that when R.sub.1 is ##STR4## or aryl, R.sub.2 is hydrogen, or alternatively R.sub.1 +R.sub.2 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, indan or piperidine ring; R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl, or alternatively R.sub.3 +R.sub.4 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, pyrrolidine or piperidine ring, the term aryl signifying an unsubstituted phenyl group or a phenyl group substituted with 1, 2 or 3 substituents each of which being independently loweralkyl, loweralkoxy, hydroxy, halogen, loweralkythio, cyano, amino or trifluoromethyl, which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  公开了化合物的式子##STR1##其中n为0或1; A为##STR2##其中每个X独立地为氢、卤素、低碳基羟基、硝基、低碳基氧基、氨基、氰基、三氟甲基或甲硫基;每个Y独立地为氢、卤素、低碳基、羟基、硝基、低碳基氧基、氨基、氰基、三氟甲基或甲硫基;m为1或2;k为1或2;R.sub.1和R.sub.2独立地为氢、低碳基、##STR3##或芳基，但当R.sub.1为##STR4##或芳基时，R.sub.2为氢，或者R.sub.1+R.sub.2与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、茚烷或哌啶环;R.sub.3和R.sub.4独立地为氢或低碳基，或者R.sub.3+R.sub.4与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、吡咯烷或哌啶环，术语芳基表示未取代的苯基或取代了1、2或3个基团的苯基，每个基团独立地为低碳基、低碳氧基、羟基、卤素、低碳硫基、氰基、氨基或三氟甲基，这些化合物可用作抗精神病、镇痛、抗癫痫和抗焦虑药物。
• 3-<4-substituted-4-piperazinyl)buty]-4-thiazolidinone and related
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US05371087A1

  公开（公告）日：1994-12-06

  There are disclosed compounds of the formula, ##STR1## where n is 0, 1 or 2; A is ##STR2## where X in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; Y in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino cyano, trifluoromethyl or methylthio; m is 1 or 2; k is 1 or 2; R.sub.1 and R.sub.2 are independently hydrogen, loweralkyl, ##STR3## or aryl except that when R.sub.1 is ##STR4## or aryl, R.sub.2 is hydrogen, or alternatively R.sub.1 +R.sub.2 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, indan or piperidine ring; R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl, or alternatively R.sub.3 +R.sub.4 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, pyrrolidine or piperidine ring, the term aryl signifying an unsubstituted phenyl group or a phenyl group substituted with 1, 2 or 3 substituents each of which being independently loweralkyl, loweralkoxy, hydroxy, halogen, loweralkylthio, cyano, amino or trifluoromethyl, which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  公开了化合物的公式，其中n为0、1或2；A为##STR2##其中每次出现的X独立地为氢、卤素、低烷基、羟基、硝基、低烷氧基、氨基、氰基、三氟甲基或甲硫基；每次出现的Y独立地为氢、卤素、低烷基、羟基、硝基、低烷氧基、氨基、氰基、三氟甲基或甲硫基；m为1或2；k为1或2；R.sub.1和R.sub.2独立地为氢、低烷基、##STR3##或芳基，但当R.sub.1为##STR4##或芳基时，R.sub.2为氢，或者R.sub.1+R.sub.2与它们附着的碳原子共同形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、茚烷或哌啶环；R.sub.3和R.sub.4独立地为氢或低烷基，或者R.sub.3+R.sub.4与它们附着的碳原子共同形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、吡咯烷或哌啶环，术语芳基表示未取代的苯基或取代有1、2或3个取代基的苯基，每个取代基独立地为低烷基、低烷氧基、羟基、卤素、低烷硫基、氰基、氨基或三氟甲基，这些化合物可用作抗精神病、镇痛、抗癫痫和抗焦虑剂。
• 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US05136037A1

  公开（公告）日：1992-08-04

  There are disclosed compounds of the formula, ##STR1## where n is 0 or 1; A is ##STR2## where X in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; Y in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; m is 1 or 2; k is 1 or 2; R.sub.1 and R.sub.2 are independently hydrogen, lower alkyl, ##STR3## or alternatively R.sub.1 +R.sub.2 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, indan or piperidine ring; R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl, or alternatively R.sub.3 +R.sub.4 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, pyrrolidine or piperidine ring, the term aryl signifying an unsubstituted phenyl group or a phenyl group substituted with 1, 2 or 3 substituents each of which being independently loweralkyl, loweralkoxy, hydroxy, halogen, loweralkylthio, cyano, amino or trifluoromethyl, which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  公开了化合物的公式，其中n为0或1；A为##STR2##其中每个X独立地是氢，卤素，低碳基，羟基，硝基，低碳氧基，氨基，氰基，三氟甲基或甲硫基；每个Y在出现时独立地是氢，卤素，低碳基，羟基，硝基，低碳氧基，氨基，氰基，三氟甲基或甲硫基；m为1或2；k为1或2；R.sub.1和R.sub.2独立地是氢，低碳基，##STR3##或者R.sub.1+R.sub.2与它们附着的碳原子结合形成环戊烷，环己烷，环庚烷，吡喃，硫代吡喃，茚烷或哌啶环；R.sub.3和R.sub.4独立地是氢或低碳基，或者R.sub.3+R.sub.4与它们附着的碳原子结合形成环戊烷，环己烷，环庚烷，吡喃，硫代吡喃，吡咯烷或哌啶环，术语芳基表示未取代的苯基或取代有1、2或3个取代基的苯基，每个取代基都是独立的低碳基，低碳氧基，羟基，卤素，低碳硫基，氰基，氨基或三氟甲基，这些化合物是作为抗精神病，镇痛，抗惊厥和抗焦虑剂使用的。
• 3-\x9b4-(1-substituted-4-piperazinyl)butyl!-4-thiazolidinone and related
  申请人：Hoechst Marion Roussel, Inc.

  公开号：US05801186A1

  公开（公告）日：1998-09-01

  A compound selected from the following formula: ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, X, m and n are as defined in the specification having antipsychotic activity.

  从以下公式中选择的化合物：##STR1##其中R.sup.1，R.sup.2，R.sup.3，R.sup.4，X，m和n如规范中定义，具有抗精神病活性。