1-[2-(4-chlorophenyl)-ethyl]-piperazine | 55455-93-1

• 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: 1-[2-(4-chlorophenyl)-ethyl]-piperazine
• 英文别名: 1-(4-chlorophenethyl)piperazine；N-[2-(p-chlorophenyl)-ethyl]-piperazine；1-[2-(4-chlorophenyl)ethyl]piperazine
• CAS: 55455-93-1
• 化学式: C₁₂H₁₇ClN₂
• 分子量: 224.733
• InChiKey: GMIRFHIMHXOTKR-UHFFFAOYSA-N

物化性质

• 沸点：
  140-145 °C(Press: 2 Torr)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1-[2-(4-chlorophenyl)-ethyl]-piperazine 在 ethereal hydrochloric acid 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 生成 1-{2-[N-(2-isopropyloxyethyl)amino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine hydrochloride
  参考文献：
  名称：

  Amino-substituted piperazine derivatives

  摘要：

  式I的氨基取代哌嗪衍生物##STR1##其中R.sub.1 -R.sub.6，X和Y如描述中所定义，并其盐，具有抑制白细胞介素-1（IL-1）生物合成的性质，以及镇痛性能，并因此可用作药物中的活性成分。它们以已知的方式制备。

  公开号：

  US05286728A1
• 作为产物：
  描述：

  4-(4-chloro-phenethyl)-piperazine-1-carboxylic acid ethyl ester 、 氢氧化钾 以79%的产率得到
  参考文献：
  名称：

  JILEK J. O; METYSOVA J.; NEMEC J.; SEDIVY Z.; POMYKACEK J.; PROTIVA M., COLLECT. CZECH. CHEM. COMMUNS. , 1975, 40, NO 11, 3386-3398

  摘要：

  DOI：
• 作为试剂：
  描述：

  3,5-二甲氧基苯甲酰氯 、 1-[2-(4-chlorophenyl)-ethyl]-piperazine 在 1-[2-(4-chlorophenyl)-ethyl]-piperazine 作用下， 生成 非维匹仑
  参考文献：
  名称：

  Disubstituted piperazines

  摘要：

  该公式中的哌嗪类化合物及其盐，其中Ar.sub.1和Ar.sub.2中的每一个，独立于另一个，代表未取代或经C.sub.1-C.sub.7-烷基，C.sub.1-C.sub.7-烷氧基，氰基，卤素，三氟甲基，氨基，C.sub.1-C.sub.7-烷基氨基，二C.sub.1-C.sub.7-烷基氨基和/或C.sub.1-C.sub.7-烷酰氨基取代的苯基，可以作为药物的活性成分，并以已知的方式制造。

  公开号：

  US04804661A1

文献信息

• Bis(piperazinyl or homopiperazinyl)alkanes
  申请人：Boehringer Ingelheim Ltd.

  公开号：US04725597A1

  公开（公告）日：1988-02-16

  Compounds of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are independently hydrogen, alkyl of 1 to 4 carbon atoms, hydroxyl, alkoxy of 1 to 4 carbon atoms, alkanoyloxy of 1 to 4 carbon atoms, halogen, trihalomethyl, di(lower alkyl of 1 to 4 carbon atoms)amino, (alkoxy of 1 to 4 carbon atoms)carbonyl, nitro, cyano or alkanoyl of 1 to 3 carbon atoms; R.sub.7 and R.sub.8 are independently hydrogen, methyl, hydroxyl, carboxyl, (alkoxy of 1 to 4 carbon atoms)carbonyl, hydroxymethyl, phenyl, or p-chlorophenyl; R.sub.9 and R.sub.10 are independently hydrogen or methyl; j and k are independently 0, 1, 2, or 3, their sum being no more than 4; m and n are independently 0, 1, 2, or 3, their sum being no more than 4; A is --CH.sub.2 -- or --CH.sub.2 --CH.sub.2 --; R.sub.7 and R.sub.9 together are oxo, provided k is other than o; R.sub.8 and R.sub.10 together are oxo, provided m is other than o; R.sub.11 and R.sub.12 independently represent hydrogen or one to four methyl substituents on the carbon atoms of the piperazine ring (A=--CH.sub.2 --); R.sub.13, R.sub.14, R.sub.15, and R.sub.16 are independently hydrogen or methyl; R.sub.13 and R.sub.14 together are oxo; R.sub.15 and R.sub.16 together are oxo; and X is alkylene of 1 to 2 carbon atoms, optionally hydroxy-substituted; or a non-toxic, pharmacologically acceptable acid addition salt thereof, are useful as antiallergic and anti-inflammatory agents.

  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。
• [EN] 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS DE 1,2,4-THIADIAZOL-5-YLPIPÉRAZINE UTILES DANS LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：REMYND NV

  公开号：WO2013004642A1

  公开（公告）日：2013-01-10

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物，其化学式为（IA）。本发明还涉及利用化合物IA治疗某些以细胞毒性TAU错误折叠和/或聚集为特征的神经退行性疾病。
• 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.

  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；或苯基单独、二独或三独地与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）氨基取代；R.sub.1、R.sub.2和R.sub.3，分别是氢、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分别是氢、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分别是氢或甲基；Y是--CH.sub.2--或--CH.sub.2--CH.sub.2--；j为0或1；k和m分别为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分别为氢，j、k和m分别为0，Y为--CH.sub.2--时，n必须为3或4；其无毒、药用酸盐可用于治疗免疫、炎症和过敏性疾病。
• Indoline and piperazine containing derivatives as a novel class of mixed D2/D4 receptor antagonists. Part 1: Identification and structure–activity relationships
  作者：He Zhao、Andrew Thurkauf、Xiaoshu He、Kevin Hodgetts、Xiaoyan Zhang、Stanislaw Rachwal、Renata X. Kover、Alan Hutchison、John Peterson、Andrzej Kieltyka、Robbin Brodbeck、Renee Primus、Jan W.F. Wasley

  DOI：10.1016/s0960-894x(02)00655-8

  日期：2002.11

  Optimization of the lead compound 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihydro-indol-1-yl)-ethanone 1 by systematic structure-activity relation (SAR) studies lead to two potent compounds 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2-methy-2,3-dihydro-indol-1-yl)-ethanone 2n and 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2-methy-2,3-dihydro-indol-1-yl)-ethanone 7b. Their related synthesis was

  通过系统结构-活性关系最优化铅化合物2-[-4-（4-氯苄基）-哌嗪-1-基] -1-（2,3-二氢-吲哚-1-基）-乙酮1 （SAR）研究产生了两种有效的化合物2-[-4-（4-氯-苄基）-哌嗪-1-基] -1-（2-甲基-2,3-二氢-吲哚-1-基）-乙酮2n和2-[-4-（4-氯苄基）-哌嗪-1-基] -1-（2-甲基-2,3-二氢-吲哚-1-基）-乙酮7b。还报道了它们的相关合成。
• [EN] SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRAZINE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018136661A1

  公开（公告）日：2018-07-26

  Provided herein are compounds of the Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.

  本文提供了Formula I的化合物及其立体异构体和药学上可接受的盐或溶剂，其中A、B、D、E、X1、X2、X3和X4在规范中给出的含义，这些化合物是RET激酶的抑制剂，可用于治疗和预防可以用RET激酶抑制剂治疗的疾病，包括由RET激酶介导的疾病或紊乱。