Tert-butyl 4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxylate | 1092069-35-6

• 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: Tert-butyl 4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxylate
• CAS: 1092069-35-6
• 化学式: C₂₅H₃₃N₃O₃
• 分子量: 423.555
• InChiKey: AUTOWVAFAJROKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxylate 在 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 62.0h， 生成 N-methyl-4-phenyl-N-(4-piperazin-1-ylphenyl)butanamide
  参考文献：
  名称：

  WO2008/148868

  摘要：

  公开号：
• 作为产物：
  描述：

  4-苯基丁酸 、 1-Boc-4-(4-氨基苯基)哌嗪 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 93.33h， 生成 Tert-butyl 4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxylate
  参考文献：
  名称：

  WO2008/148868

  摘要：

  公开号：

文献信息

• PIPERIDINE/PIPERAZINE DERIVATIVES
  申请人：Bongartz Jean-Pierre Andre Marc

  公开号：US20100190789A1

  公开（公告）日：2010-07-29

  The invention relates to a DGAT inhibitor of formula (I): including any stereochemically isomeric form thereof, wherein A represents CH or N; the dotted line represents an optional bond in case A represents a carbon atom; X represents —C(═O)—; —O—C(═O)—; C(═O)—C(═O)—; —NR x —C(═O)—; —Z 1 —C(O)—; —Z 1 —NR x —C(═O)—; —C(═O)—Z 1 —; —NR x —C(═O)—Z 1 —; —S(═O)p-; —C(═S)—; —NR x —C(═S)—; —Z 1 —C(═S)—; —Z 1 —NR x —C(═S)—; —C(═S)—Z1-; NR x —C(═S)—Z—; Y represents NR x —C(= 0 )-Z 2 —; —NR x —C(= 0 )-Z 2 —NR y —; —NR x —C(= 0 )-Z 2 —NR y —C(= 0 )—; —NR x —C(= 0 )-Z 2 —NR y —C(= 0 )-; O—; —NR x —C(= 0 )-Z 2 - 0 -; —NR x —C(= 0 )-Z 2 - 0 -C(= 0 )-; —NR x —C(= 0 )-Z 2 —C(= 0 )-; —NR x —C(= 0 )-Z 2 —C(= 0 )-; —NR x —C(= 0 )- 0 -Z 2 —C(= 0 )-; —NR x —C(= 0 )- 0 -Z 2 —C(= 0 )- 0 -; —NR x —C(═O)—O—Z 2 —O—C(═O)—; —NR x —C(═O)—Z 2 —C(═O)—NR y —; —NR x —C(═O)—Z 2 —NR y —C(= 0 )-NR y —; —C(═O)—Z 2 —; —C(═O)—Z 2 —O—; —C(= 0 )-NR x —Z 2 —; —C(= 0 )-NR x —Z 2 - 0 -; —C(= 0 )-NR x —Z 2 —C(= 0 )- 0 -; —C(= 0 )-NR x —Z 2 - 0 -C(= 0 )-; —C(= 0 )-NR x —Z 2 —NR y —; —C(= 0 )—NR x —Z 2 —NR y —C(= 0 )-; —C(= 0 )-NR x —Z 2 —NR y —C(= 0 )- 0 -; R 1 represents C 1-12 alkyl optionally substituted with cyano, C 1-4 alkyloxy, C 1-4 alkyl-oxyC 1-4 alkyloxy, C 3-6 Cycloalkyl or aryl; C 2-6 alkenyl; C 2-6 alkynyl; C 3-6 cycloalkyl; adamantanyl; aryl 1 ; aryl 1 C 1-6 alkyl; Het 1 ; or Het 1 C 1-6 alkyl; provided that when Y represents —NR x —C(═O)—Z 2 —; —NR x —C(= 0 )-Z 2 —NR y ; —NR x —C(═O)—Z 2 —C(═O)—NR y —; —C(═O)—Z 2 —; —NR x —C(= 0 )-Z 2 —NR y —C(= 0 )—NR y —; —C(═O)—NR—Z 2 —; —C(═O)—NR—O—Z 2 —; or —C(= 0 )-NR x —Z 2 —NR y —; then R 1 may also represent hydrogen; R 2 represents hydrogen, C 1-12 alkyl, C 2-6 alkenyl or R 3 ; provided that if X represents —O—C(═O)—; the R 2 O represents R 3 ; and provided that (A) is excluded; a N-oxide thereof, a pharmaceutically acceptable salt thereof or a solvate thereof. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds.
• US8981094B2
  申请人：——

  公开号：US8981094B2

  公开（公告）日：2015-03-17
• WO2008/148868
  申请人：——

  公开号：——

  公开（公告）日：——