(S*R*)-1-(4-Chloro-benzyl)-2,5-dimethyl-piperazine | 94637-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S*R*)-1-(4-Chloro-benzyl)-2,5-dimethyl-piperazine
• 英文别名: 1-(4-chlorobenzyl)-2,5-dimethylpiperazine；4-Chlorobenzyl-2,5-dimethylpiperazine；1-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazine
• CAS: 94637-79-3
• 化学式: C₁₃H₁₉ClN₂
• 分子量: 238.76
• InChiKey: ZXMDXHSKGRSJGC-UHFFFAOYSA-N

物化性质

• 沸点：
  320.8±27.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S*R*)-1-(4-Chloro-benzyl)-2,5-dimethyl-piperazine 、 1-溴-3-氯丙烷 在 三乙胺 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 生成 1,3-Bis[4-(4-chlorobenzyl)-2,5-dimethyl-1-piperazinyl] propane tetrahydrochloride dihydrate
  参考文献：
  名称：

  Bis(piperazinyl or homopiperazinyl)alkanes

  摘要：

  式为##STR1##的化合物，其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5和R.sub.6独立地为氢、1至4个碳原子的烷基、羟基、1至4个碳原子的烷氧基、1至4个碳原子的烷酰氧基、卤素、三卤甲基、1至4个碳原子的低烷基)氨基、(1至4个碳原子的烷氧基)羰基、硝基、氰基或1至3个碳原子的烷酰基；R.sub.7和R.sub.8独立地为氢、甲基、羟基、羧基、(1至4个碳原子的烷氧基)羰基、羟甲基、苯基或对氯苯基；R.sub.9和R.sub.10独立地为氢或甲基；j和k独立地为0、1、2或3，它们的和不超过4；m和n独立地为0、1、2或3，它们的和不超过4；A为--CH.sub.2 --或--CH.sub.2 --CH.sub.2 --；R.sub.7和R.sub.9一起为氧代，条件是k不等于o；R.sub.8和R.sub.10一起为氧代，条件是m不等于o；R.sub.11和R.sub.12独立地表示对哌嗪环的碳原子上的氢或一个到四个甲基取代基（A=--CH.sub.2 --）；R.sub.13、R.sub.14、R.sub.15和R.sub.16独立地为氢或甲基；R.sub.13和R.sub.14一起为氧代；R.sub.15和R.sub.16一起为氧代；X为1至2个碳原子的烷基，可选地为羟基取代；或其非毒性、药理学上可接受的酸盐，可用作抗过敏和抗炎药物。

  公开号：

  US04725597A1
• 作为产物：
  描述：

  4-氯氯苄 、 2,5-二甲基哌嗪 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S*R*)-1-(4-Chloro-benzyl)-2,5-dimethyl-piperazine
  参考文献：
  名称：

  Novel compounds

  摘要：

  本发明提供了通式(I)的化合物，其中Q，R，R2，R4，R5，R6，R7和R8如规范中所定义，其制备过程，包含它们的制药组合物以及它们在治疗中的用途。

  公开号：

  US20030158225A1

文献信息

• Substituted phenylalkyl-(piperazinyl or homopiperazinyl)alkyl thiols and
  申请人：Boehringer Ingelheim Limited

  公开号：US04722926A1

  公开（公告）日：1988-02-02

  Compounds of the formula ##STR1## wherein R is hydrogen or ##STR2## A is alkyl of 1 to 8 carbon atoms; cycloalkyl of 3 to 7 carbon atoms; phenyl; or phenyl mono-, di- or tri-substituted independently with alkyl of 1 to 4 carbon atoms, halogen, trihalomethyl, alkoxy of 1 to 3 carbon atoms, carboxylic acyl of 1 to 3 carbon atoms, carboxyl, (alkoxy of 1 to 3 carbon atoms)carbonyl, nitro, cyano or di(alkyl of 1 to 3 carbon atoms)amino; R.sub.1, R.sub.2 and R.sub.3, are independently hydrogen, halogen, alkyl of 1 to 4 carbon atoms, trihalomethyl, nitro, cyano, di(alkyl of 1 to 4 carbon atoms)amino, (alkoxy of 1 to 4 carbon atoms)carbonyl, alkoxy of 1 to 4 carbon atoms or hydroxyl; R.sub.4 and R.sub.5 are independently hydrogen, alkyl of 1 to 4 carbon atoms, or phenyl; R.sub.6, R.sub.7, R.sub.8 and R.sub.9 are independently hydrogen or methyl; Y is --CH.sub.2 -- or --CH.sub.2 --CH.sub.2 --; j is 0 to 1; k and m are independently 0, 1, 2, or 3, their sum being no more than 6 and must be 0 when j is 1; n is 2, 3, or 4, with the proviso that n must be 3 or 4 when R.sub.1 is hydrogen or 2-methyl, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, R.sub.9 and R are each and j, k, and m are each 0, and Y is --CH.sub.2 --; and non-toxic, pharmaceutically acceptable acid addition salts thereof are useful for the treatment of immunological, inflammatory and allergic disorders.

  公式 ##STR1## 中的化合物，其中 R 是氢或 ##STR2##，A 是1至8个碳原子的烷基；3至7个碳原子的环烷基；苯基；或苯基独立地单取代、双取代或三取代烷基，卤素，三卤甲基，1至3个碳原子的烷氧基，1至3个碳原子的羧酸酰基，羧基，（1至3个碳原子的烷氧基）羰基，硝基，氰基或二（1至3个碳原子的烷基）氨基；R.sub.1、R.sub.2和R.sub.3独立地是氢、卤素、1至4个碳原子的烷基，三卤甲基，硝基，氰基，二（1至4个碳原子的烷基）氨基，（1至4个碳原子的烷氧基）羰基，1至4个碳原子的烷氧基或羟基；R.sub.4和R.sub.5独立地是氢、1至4个碳原子的烷基或苯基；R.sub.6、R.sub.7、R.sub.8和R.sub.9独立地是氢或甲基；Y是--CH.sub.2--或--CH.sub.2--CH.sub.2--；j为0至1；k和m独立地为0、1、2或3，它们的和不超过6，当j为1时必须为0；n为2、3或4，但当R.sub.1为氢或2-甲基，R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8、R.sub.9和R均为0，j、k和m均为0，Y为--CH.sub.2--时，n必须为3或4；以及其非毒性、药学上可接受的酸盐对免疫、炎症和过敏性疾病的治疗有用。
• Novel compounds
  申请人：——

  公开号：US20030158225A1

  公开（公告）日：2003-08-21

  The invention provides compounds of general formula (I) wherein Q, R, R 2 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy. 1

  本发明提供了通式(I)的化合物，其中Q，R，R2，R4，R5，R6，R7和R8如规范中所定义，其制备过程，包含它们的制药组合物以及它们在治疗中的用途。
• Substituted phenylalkyl-(piperazinyl or homopiperazinyl)alkyl-thiols and
  申请人：Boehringer Ingelheim Limited

  公开号：US04618677A1

  公开（公告）日：1986-10-21

  Compounds of the formula ##STR1## wherein R is hydrogen or ##STR2## A is alkyl of 1 to 8 carbon atoms; cycloalkyl of 3 to 7 carbon atoms; phenyl; or phenyl mono-, di- or tri-substituted independently with alkyl of 1 to 4 carbon atoms, halogen, trihalomethyl, alkoxy of 1 to 3 carbon atoms, carboxylic acyl of 1 to 3 carbon atoms, carboxyl, (alkoxy of 1 to 3 carbon atoms)carbonyl, nitro, cyano or di(alkyl of 1 to 3 carbon atoms)amino; R.sub.1, R.sub.2 and R.sub.3, are independently hydrogen, halogen, alkyl of 1 to 4 carbon atoms, trihalomethyl, nitro, cyano, di(alkyl of 1 to 4 carbon atoms)amino, (alkoxy of 1 to 4 carbon atoms)carbonyl, alkoxy of 1 to 4 carbon atoms or hydroxyl; R.sub.4 and R.sub.5 are independently hydrogen, alkyl of 1 to 4 carbon atoms, or phenyl; R.sub.6, R.sub.7, R.sub.8 and R.sub.9 are independently hydrogen or methyl; Y is --CH.sub.2 -- or --CH.sub.2 --CH.sub.2 --; j is 0 or 1; k and m are independently 0, 1, 2, or 3, their sum being no more than 6 and must be 0 when j is 1; n is 2, 3, or 4, with the proviso that n must be 3 or 4 when R.sub.1 is hydrogen or 2-methyl, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, R.sub.9 and R are each hydrogen and j, k, and m are each 0, and Y is --CH.sub.2 --; and non-toxic, pharmaceutically acceptable acid addition salts thereof are useful for the treatment of immunological, inflammatory and allergic disorders.

  该化合物的公式为##STR1##其中R为氢或##STR2##A为1至8个碳原子的烷基；3至7个碳原子的环烷基；苯基；或苯基单、双或三取代基，独立地取代为1至4个碳原子的烷基，卤素，三卤甲基，1至3个碳原子的烷氧基，1至3个碳原子的羧酸酰基，羧基，（1至3个碳原子的烷氧基）羰基，硝基，氰基或二（1至3个碳原子的烷基）氨基；R.sub.1，R.sub.2和R.sub.3独立地为氢，卤素，1至4个碳原子的烷基，三卤甲基，硝基，氰基，二（1至4个碳原子的烷基）氨基，（1至4个碳原子的烷氧基）羰基，1至4个碳原子的烷氧基或羟基；R.sub.4和R.sub.5独立地为氢，1至4个碳原子的烷基或苯基；R.sub.6，R.sub.7，R.sub.8和R.sub.9独立地为氢或甲基；Y为--CH.sub.2--或--CH.sub.2--CH.sub.2--；j为0或1；k和m独立地为0、1、2或3，它们的和不超过6，当j为1时必须为0；n为2、3或4，但当R.sub.1为氢或2-甲基时，n必须为3或4，R.sub.2，R.sub.3，R.sub.4，R.sub.5，R.sub.6，R.sub.7，R.sub.8，R.sub.9和R均为氢，j，k和m均为0，Y为--CH.sub.2--；以及其非毒性、药学上可接受的酸盐，用于治疗免疫、炎症和过敏性疾病。
• Hydroxyalkyl compounds
  申请人：Eriksson Tomas

  公开号：US06943188B2

  公开（公告）日：2005-09-13

  The invention provides compounds of general formula (I) wherein Q, R, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了一般式（I）的化合物，其中Q，R，R2，R3，R4，R5，R6，R7和R8如规范中定义，以及它们的制备方法，含有它们的制药组合物以及它们在治疗中的用途。
• 1-Phenylalkyl-4-(mercapto and carbamylthio)alkyl-piperazines and -homopiperazines and their use in the treatment of allergic diseases
  申请人：Boehringer Ingelheim Pharmaceuticals Inc.

  公开号：EP0127182A1

  公开（公告）日：1984-12-05

  Compounds of the formula wherein R is hvdroaen or A is alkyl of 1 to 8 carbon atoms; cycloalkyl of 3 to 7 carbon atoms; or unsubstituted or mono-, di- or tri-substituted phenyl, where the substituents are each alkyl of 1 to 4 carbon atoms, halogen, trihalomethyl, alkoxy of 1 to 3 carbon atoms, carboxylic acyl of 1 to 3 carbon atoms, carboxyl, (alkoxy of 1 to 3 carbon atoms)carbonyl, nitro, cyano or di(alkyl of 1 to 3 carbon atoms)amino; R1, R2 and R3, which may be identical to or different from each other, are each hydrogen, halogen, alkyl of 1 to 4 carbon atoms, trihalomethyl, nitro, cyano, di(alkyl of 1 to 4 carbon atoms)amino, (alkoxy of 1 to 4 carbon atoms)carbonyl, alkoxy of 1 to 4 carbon atoms or hydroxyl; R4 and R6, which may be identical to or different from each other, are each hydrogen, alkyl of 1 to 4 carbon atoms or phenyl; R6, R7, R8 and R9, which may be identical to or different from each other, are each hydrogen or methyl, Y is -CH2- or -CH2-CH2; j is 0 or 1; ./... k and m are each integers of 0 to 3, their sum being no more than 6 and must be 0 when j is 1; n is an integer of 2 to 4, with the proviso that n must be 3 or 4 when R1 is hydrogen or 2-methyl, R2, R2, R4, R5, R6, R7, R8, R9, and R are hydrogen and j, k and m are 0 and Y is CH2-; and non-toxic, pharmaceutically aceptable acid addition salts thereof. The compounds as well as their salts are useful for the treatment of Immunological, inflammatory and allergic disorders.

  式中的化合物 其中 R 是 hvdroaen 或 A 是 1 至 8 个碳原子的烷基 3 至 7 个碳原子的环烷基；或 未取代或单、二或三取代苯基，其中的取代基分别为 1 至 4 个碳原子的烷基、卤素、三卤甲基、1 至 3 个碳原子的烷氧基、1 至 3 个碳原子的羧酰基、羧基、（1 至 3 个碳原子的烷氧基）羰基、硝基、氰基或二（1 至 3 个碳原子的烷基）氨基； R1、R2 和 R3 可以相同或不同，各自为氢、卤素、1 至 4 个碳原子的烷基、三卤甲基、硝基、氰基、二（1 至 4 个碳原子的烷基）氨基、（1 至 4 个碳原子的烷氧基）羰基、1 至 4 个碳原子的烷氧基或羟基； R4 和 R6（可以相同或不同）各自为氢、1 至 4 个碳原子的烷基或苯基； R6、R7、R8 和 R9 各自为氢、甲基，它们之间可能相同或不同、 Y 是-CH2-或-CH2-CH2； j 是 0 或 1；./... k 和 m 分别是 0 至 3 的整数，它们的总和不超过 6，当 j 为 1 时必须为 0； n 是 2 至 4 的整数，但 n 必须是 3 或 4，当 R1 是氢或 2-甲基，R2、R2、R4、R5、R6、R7、R8、R9 和 R 是氢且 j、k 和 m 是 0 且 Y 是 CH2- 时； 及其无毒、药学上可接受的酸加成盐。这些化合物及其盐类可用于治疗免疫、炎症和过敏性疾病。