(RS)-4-Methoxycarbonyl-2-(2-phenoxyethyl)piperazine | 517866-82-9

• 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: (RS)-4-Methoxycarbonyl-2-(2-phenoxyethyl)piperazine
• 英文别名: methyl 3-(2-phenoxyethyl)piperazine-1-carboxylate
• CAS: 517866-82-9
• 化学式: C₁₄H₂₀N₂O₃
• 分子量: 264.32
• InChiKey: XVABPWSEMLFBSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 Lithium aluminium hydride 、 (RS)-4-Methoxycarbonyl-2-(2-phenoxyethyl)piperazine 、 、 sodium hydroxide 、 Sodium sulfate-III 在 氩 、 ice 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.15h， 以to give the title compound as a colourless oil (0.73 g, 88%)的产率得到(RS)-4-Methyl-2-(2-phenoxyethyl)piperazine
  参考文献：
  名称：

  N-aroyl piperazine derivatives as orexin receptor antagonists

  摘要：

  本发明涉及N-芳酰基环状氨基衍生物及其作为药物的用途。

  公开号：

  US07405217B2
• 作为产物：
  描述：

  (RS)-1-(tert-Butyloxycarbonyl)-4-methoxycarbonyl-2-(2-phenoxyethyl)piperazine 在 二氯甲烷 、 sodium hydroxide 、 Sodium sulfate-III 作用下， 以 二氯甲烷 、 三氟乙酸 为溶剂， 反应 0.75h， 以to afford the title compound as a colourless oil (1.01 g, 99%)的产率得到(RS)-4-Methoxycarbonyl-2-(2-phenoxyethyl)piperazine
  参考文献：
  名称：

  N-aroyl piperazine derivatives as orexin receptor antagonists

  摘要：

  本发明涉及N-芳酰基环状氨基衍生物及其作为药物的用途。

  公开号：

  US07405217B2

文献信息

• N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：BRANCH Leslie Clive

  公开号：US20070167457A1

  公开（公告）日：2007-07-19

  This invention relates to N-aroyl cyclic amino derivatives and their use as pharmaceuticals.

  本发明涉及N-芳酰基环状氨基衍生物及其作为药物的用途。
• US7166608B2
  申请人：——

  公开号：US7166608B2

  公开（公告）日：2007-01-23
• US7405217B2
  申请人：——

  公开号：US7405217B2

  公开（公告）日：2008-07-29
• [EN] N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE N-AROYLPIPERAZINE UTILISES COMME ANTAGONISTES DU RECEPTEUR DE L'OREXINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2003032991A1

  公开（公告）日：2003-04-24

  This invention relates to N-aroyl piperazine derivatives of formula (I), wherein: Y represents NR2; m represents 1, 2 or 3; p represents 0 or 1; X is O, S, C=O, SO¿2?, or CH=CH-; Ar?1¿ is aryl, or a mono or bicyclic heteroaryl group containing up to 4 heteroatoms selected from N, O and S; any of which may be optionally substituted; Ar2 represents phenyl or a 5- or 6-membered heterocyclyl group containing 1 to 3 heteroatoms selected from N, O and S, wherein the phenyl heterocyclyl group is substituted by R1 and further optional substituents; or Ar2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing 1 to 4 heteroatoms selected from N, O and S; R1 represents optionally substituted (C¿1-4?)alkoxy, halo, optionally substituted (C1-6)alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing 1 to 4 heteroatoms selected from N, O and S; R?2 ¿represents hydrogen, optionally substituted (C¿1-4?)alkyl, optionally substituted (C1-6)alkanoyl, optionally subtituted (C1-6)alkanoxycarbonyl or optionally substituted aryl(C1-6)alkyloxycarbonyl; and their use as orexin receptor-antagonists.
• N-aroyl piperazine derivatives as orexin receptor antagonists
  申请人：SmithKline Beecham p.l.c.

  公开号：US07166608B2

  公开（公告）日：2007-01-23

  This invention relates to N-aroyl piperazine derivatives of formula (I), wherein: Y represents NR2; m represents 1, 2 or 3; p represents 0 or 1; X is O, S, C═O, SO2, or CH═CH—; Ar1 is aryl, or a mono or bicyclic heteroaryl group containing up to 4 heteroatoms selected from N, O and S; any of which may be optionally substituted; Ar2 represents phenyl or a 5- or 6-membered heterocyclyl group containing 1 to 3 heteroatoms selected from N, O and S, wherein the phenyl heterocyclyl group is substituted by R1 and further optional substituents; or Ar2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing 1 to 4 heteroatoms selected from N, O and S; R1 represents optionally substituted (C1-4)alkoxy, halo, optionally substituted (C1-6)alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing 1 to 4 heteroatoms selected from N, O and S; R2 represents hydrogen, optionally substituted (C1-4)alkyl, optionally substituted (C1-6)alkanoyl, optionally subtituted (C1-6)alkanoxycarbonyl or optionally substituted aryl(C1-6)alkyloxycarbonyl; and their use as orexin receptor-antagonists.

  本发明涉及式（I）的N-芳酰基哌嗪衍生物，其中：Y代表NR2; m代表1、2或3; p代表0或1; X为O、S、C═O、SO2或CH═CH—; Ar1为芳基，或含有最多4个异原子（选自N、O和S）的单环或双环杂芳基基团，其中任何一个可以选择性地被取代; Ar2代表苯基或含有1至3个选自N、O和S的杂原子的5-或6-成员杂环基团，其中苯基杂环基团被R1和进一步可选取代基取代; 或Ar2代表一个可选择性取代的含有1至4个选自N、O和S的杂原子的双环芳香基或双环杂芳基基团; R1代表可选择性取代的（C1-4）烷氧基，卤素，可选择性取代的（C1-6）烷基，可选择性取代的苯基，或含有1至4个选自N、O和S的杂原子的可选择性取代的5-或6-成员杂环环; R2代表氢，可选择性取代的（C1-4）烷基，可选择性取代的（C1-6）烷酰基，可选择性取代的（C1-6）烷氧羰基或可选择性取代的芳基（C1-6）烷氧羰基; 以及它们作为促进睡眠激素受体拮抗剂的用途。