1-Methyl-4-cyclopenten-(1)-yl-piperazin | 22440-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-Methyl-4-cyclopenten-(1)-yl-piperazin
• 英文别名: 1-(Cyclopenten-1-yl)-4-methylpiperazine
• CAS: 22440-15-9
• 化学式: C₁₀H₁₈N₂
• 分子量: 166.266
• InChiKey: TUUJOQYNRXICJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-4-cyclopenten-(1)-yl-piperazin 、 Alpha,4-二氯苯甲醛肟 在 三乙胺 作用下， 生成 3-<4-Chlor-phenyl>-6a-<4-methyl-piperazino>-3a.4.5.6.7-tetrahydrocyclopenta-isoxazol
  参考文献：
  名称：

  Bianchetti,G. et al., Gazzetta Chimica Italiana, 1963, vol. 93, p. 1726 - 1735

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基哌嗪 、 环戊酮 以 甲苯 为溶剂， 生成 1-Methyl-4-cyclopenten-(1)-yl-piperazin
  参考文献：
  名称：

  Schoeller, Wolfgang W.; Niemann, Juergen; Rademacher, Paul, Journal of the Chemical Society. Perkin transactions II, 1988, p. 369 - 374

  摘要：

  DOI：

文献信息

• Piperazine derivatives which exhibit activity as serotonin and noradrenaline re-uptake inhibitors
  申请人：Bish Gerwyn

  公开号：US20070105870A1

  公开（公告）日：2007-05-10

  A compound of formula (I), wherein R 1 is H; R 2 is aryl, het, C 3-8 cycloalkyl, C 1-6 alkyl, (CH 2 ) 2 aryl or R 4 , wherein each of the cycloalkyl, aryl, het and R 4 groups is optionally substituted by at least one substituent independently selected from C 1-6 alkyl, C 1-6 alkoxy, OH, halo, CF 3 , OCF 3 , OCHF 2 , O(CH 2 ) y CF 3 , CN, CONH 2 , CON(H)C 1-6 alkyl, CON(C 1-6 alkyl) 2 , hydroxy-C 1-6 alkyl, C 1-4 alkoxy-C 1-6 alkyl, C 1-4 alkoxy-C 1-4 alkoxy, SCF 3 , C 1-6 alkyISO 2 , C 1-4 alkyl-S-C 1-4 alkyl, C 1-4 alkyl-S—, C 1-4 alkyINR 10 R 11 and NR 10 R 11 ; or R 1 and R 2 , together with the carbon atom to which they are bound, form a 5- or 6-membered carbocycle or a 5- or 6-membered heterocycle containing at least one N, O or S heteroatom; R 3 is aryl, het or R 4 , each optionally substituted by at least one substituent independently selected from C 1-6 -alkyl, C 1-6 -alkoxy, het, OH, halo, CF 3 , OCF 3 , OCHF 2 , O(CH 2 ) y CF 3 , CN, CONH 2 , CON(H)C 1-6 alkyl, CON(C 1-6 alkyl) 2 , hydroxy-C 1-6 alkyl, C 1-4 alkoxy-C 1-6 alkyl, C 1-4 alkoxy-C 1-4 alkoxy, SCF 3 , C 1-6 alkyISO 2 , C 1-4 alkyl-S-C 1-4 alkyl, C 1-4 alkyl-S—, C 1-4 alkylNR 10 R 11 and NR 10 R 11 ; R 4 is a phenyl group fused to a 5- or 6 membered carbocycle, or a phenyl group fused to a 5- or 6-membered heterocycle containing at least one N, O or S heteroatom; R 5 is H or C 1-6 alkyl; R 10 and R 11 are the same or different and are independently H or C 1-4 alkyl; A is a C 1-3 alkylene chain which is optionally substituted by OH, C 1-4 alkyl or C 1-4 alkoxy; x is an integer from 1 to 3; y is 1 or 2; z is an integer from 1 to 3; aryl is phenyl, naphthyl, anthracyl or phenanthryl; and het is an aromatic or non-aromatic 4, 5- or 6-membered heterocycle which contains at least one N, O or S heteroatom, optionally fused to a 5- or 6-membered carbocycle or a second 4, 5- or 6-membered heterocycle which contains at least one N, O or S heteroatom.

  化合物的化学式为（I），其中R1为H; R2为芳基，杂环，C3-8环烷基，C1-6烷基，（CH2）2芳基或R4，其中环烷基，芳基，杂环和R4基团中的每一个都可以独立地被至少一个取代基取代，所述取代基从C1-6烷基，C1-6烷氧基，OH，卤素，CF3，OCF3，OCHF2，O（CH2）yCF3，CN，CONH2，CON（H）C1-6烷基，CON（C1-6烷基）2，羟基-C1-6烷基，C1-4烷氧基-C1-6烷基，C1-4烷氧基-C1-4烷氧基，SCF3，C1-6烷基ISO2，C1-4烷基-S-C1-4烷基，C1-4烷基-S-，C1-4烷基INR10R11和NR10R11中独立选择; 或者R1和R2与它们所连接的碳原子一起形成一个含有至少一个N，O或S杂原子的5-或6-成员碳环或5-或6-成员杂环; R3为芳基，杂环或R4，每个都可以独立地被至少一个取代基取代，所述取代基从C1-6烷基，C1-6烷氧基，杂环，OH，卤素，CF3，OCF3，OCHF2，O（CH2）yCF3，CN，CONH2，CON（H）C1-6烷基，CON（C1-6烷基）2，羟基-C1-6烷基，C1-4烷氧基-C1-6烷基，C1-4烷氧基-C1-4烷氧基，SCF3，C1-6烷基ISO2，C1-4烷基-S-C1-4烷基，C1-4烷基-S-，C1-4烷基NR10R11和NR10R11中独立选择; R4是融合到5-或6-成员碳环中的苯基或融合到至少一个N，O或S杂原子的5-或6-成员杂环中的苯基; R5为H或C1-6烷基; R10和R11相同或不同，独立地为H或C1-4烷基; A为C1-3烷基链，可以选择地被OH，C1-4烷基或C1-4烷氧基取代; x为1到3的整数; y为1或2; z为1到3的整数; 芳基为苯基，萘基，蒽基或菲基; 杂环为含有至少一个N，O或S杂原子的芳香或非芳香4、5-或6-成员杂环，可以选择地融合到一个5-或6-成员碳环或第二个含有至少一个N，O或S杂原子的4、5-或6-成员杂环中。
• Nagibina; Charushin; Sidorova, Russian Journal of Organic Chemistry, 1998, vol. 34, # 3, p. 434 - 446
  作者：Nagibina、Charushin、Sidorova、Klyuev

  DOI：——

  日期：——
• Bianchetti,G. et al., Gazzetta Chimica Italiana, 1963, vol. 93, p. 1726 - 1735
  作者：Bianchetti,G. et al.

  DOI：——

  日期：——
• Schoeller, Wolfgang W.; Niemann, Juergen; Rademacher, Paul, Journal of the Chemical Society. Perkin transactions II, 1988, p. 369 - 374
  作者：Schoeller, Wolfgang W.、Niemann, Juergen、Rademacher, Paul

  DOI：——

  日期：——