苯基4-甲基-1-哌嗪羧酸酯 | 132906-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 苯基4-甲基-1-哌嗪羧酸酯
• 英文名称: phenyl (4-methylpiperazin-1-yl)carboxylate
• 英文别名: 4-Methyl-piperazine-1-carboxylic acid phenyl ester；phenyl 4-methylpiperazine-1-carboxylate
• CAS: 132906-06-0
• 化学式: C₁₂H₁₆N₂O₂
• mdl: MFCD00208142
• 分子量: 220.271
• InChiKey: CRWWKRSKUAYPCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯基4-甲基-1-哌嗪羧酸酯 在 对甲苯磺酸 、 一水合肼 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 4-methyl-N-[(5-nitrothiophen-2-yl)methylideneamino]piperazine-1-carboxamide
  参考文献：
  名称：

  Synthesis and anti-trypanosomal activity of novel 5-nitro-2-furaldehyde and 5-nitrothiophene-2-carboxaldehyde semicarbazone derivatives

  摘要：

  Several novel semicarbazones derivatives were prepared from 5-nitro-2-furaldehyde or 5-nitrothiophene-2-carboxaldehyde, and tested in vitro as potential anti trypanosomal agents. The compounds were prepared in good to excellent yields in 2-3 steps from readily available starting materials. Some derivatives were found to be active against Trypanosoma cruzi with an activity similar to that of Nifurtimox. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(97)00011-6
• 作为产物：
  描述：

  苯酚 在 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 3.67h， 生成 苯基4-甲基-1-哌嗪羧酸酯
  参考文献：
  名称：

  Patonay, Tamas; Patonay-Peli, Erzsebet; Mogyorodi, Ferenc, Synthetic Communications, 1990, vol. 20, # 18, p. 2865 - 2885

  摘要：

  DOI：

文献信息

• Nitrogen-containing aromatic derivatives
  申请人：Tsuruoka Akihiko

  公开号：US20050187236A1

  公开（公告）日：2005-08-25

  A compound represented by the general formula: wherein X 1 represents a nitrogen atom or a group represented by the formula —CR 10 ═; X 2 represents a nitrogen atom or a group represented by the formula —CR 11 ═; Y represents an oxygen atom or the like; R 1 represents a C 1-6 alkoxy group, an optionally substituted C 6-10 aryloxy group, a group represented by the formula —NR 12a R 12b or the like; R 2 represents a hydrogen atom, an optionally substituted C 1-6 alkyl group, or the like; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 10 and R 11 each independently represent a hydrogen atom, a halogen atom, an optionally substituted C 1-6 alkyl group, or the like; R 9 represents a group represented by the formula —NR 16a R 16b or the like; and R 12a , R 12b , R 16a and R 16b each independently represent a hydrogen atom, an optionally substituted C 1-6 alkyl group, or the like, a salt thereof, or a hydrate of the foregoing.

  该化合物的通式为：其中X1代表氮原子或由公式—CR10═表示的基团；X2代表氮原子或由公式—CR11═表示的基团；Y代表氧原子或类似物；R1代表C1-6烷氧基、可选取代的C6-10芳基氧基、由公式—NR12aR12b表示的基团或类似物；R2代表氢原子、可选取代的C1-6烷基或类似物；R3、R4、R5、R6、R7、R8、R10和R11各自独立地代表氢原子、卤素原子、可选取代的C1-6烷基或类似物；R9代表由公式—NR16aR16b表示的基团或类似物；R12a、R12b、R16a和R16b各自独立地代表氢原子、可选取代的C1-6烷基或类似物，其盐或上述物质的水合物。
• Novel tetracyclic tetrahydrofuran derivatives
  申请人：Cid-Nunez Maria Jose

  公开号：US20070191469A1

  公开（公告）日：2007-08-16

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substitutents are defined as in Claim 1.
• NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  申请人：Núñez José Maria

  公开号：US20120035170A1

  公开（公告）日：2012-02-09

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in claim 1.
• US7109219B2
  申请人：——

  公开号：US7109219B2

  公开（公告）日：2006-09-19
• US7468380B2
  申请人：——

  公开号：US7468380B2

  公开（公告）日：2008-12-23