2-(3-甲基-1,2,4-恶二唑-5-基)苯甲酰氯 | 380899-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(3-甲基-1,2,4-恶二唑-5-基)苯甲酰氯
• 英文名称: 2-(3-Methyl-1,2,4-oxadiazol-5-yl)-benzoyl chloride
• 英文别名: 2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride
• CAS: 380899-55-8
• 化学式: C₁₀H₇ClN₂O₂
• mdl: MFCD09025849
• 分子量: 222.631
• InChiKey: REXHKRXCNIEBFX-UHFFFAOYSA-N

物化性质

• 沸点：
  373.9±44.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-甲基-1,2,4-恶二唑-5-基)苯甲酰氯 、 (RS)-2,3-Dihydroindole-1-carboxylic acid (piperidine-2-ylmethyl)amide 在 三乙胺 作用下， 以 正己烷 为溶剂， 以50%的产率得到(RS)-2,3-Dihydroindole-1-carboxylic acid (1-(1-(2-(3-methyl-(1,2,4)-oxadiazol-5-yl)-phenyl)methanoyl) piperidin-2-ylmethyl) amide
  参考文献：
  名称：

  US2003/186964

  摘要：

  公开号：

文献信息

• [EN] PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] PIPERIDINES UTILES EN TANT QU'ANTAGONISTES DU RECEPTEUR D'OREXINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2001096302A1

  公开（公告）日：2001-12-20

  Compounds of formula (I) wherein Y represents a group (CH2)n, wherein n represents 0, 1 or 2; R1 is phenyl, naphthyl, a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; or a group NR3R4 wherein one of R?3 and R4¿ is hydrogen or optionally substituted (C¿1-4?)alkyl and the other is phenyl, naphthyl or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S, or R?3 and R4¿ together with the N atom to which they are attached form a 5 to 7-membered cyclic amine which has an optionally fused phenyl ring; any of which R1 groups may be optionally substituted; R2 represents phenyl or a 5- or 6-membered hereroaryl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heteroaryl group is substituted by R5, and further optional substituents; or R2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R5 represents an 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 up to 3 heteroatoms selected from N, O and S; or pharmaceutically acceptable salts thereof.

  化合物的公式(I)，其中Y代表(CH2)n的基团，其中n代表0、1或2；R1是苯基、萘基、含有最多3个异原子（选自N、O和S）的单环或双环杂环基团；或者是NR3R4的基团，其中R?3和R4¿中的一个是氢或可选取代的(C¿1-4?)烷基，另一个是苯基、萘基或含有最多3个异原子（选自N、O和S）的单环或双环杂环基团，或者R?3和R4¿连同它们所连接的N原子形成一个5至7成员环状胺，该胺具有一个可选的融合苯环；任何R1基团都可以选择性地取代；R2代表苯基或含有最多3个异原子（选自N、O和S）的5-或6成员杂环基团，其中苯基或杂环基团被R5和其他可选取代基团取代；或者R2代表一个可选取代的含有最多3个异原子（选自N、O和S）的双环芳香基团或双环杂芳基团；R5代表一个可选取代的(C¿1-4?)烷氧基、卤素、可选取代的(C1-6)烷基、可选取代的苯基或含有最多3个异原子（选自N、O和S）的5-或6成员杂环环，或其药学上可接受的盐。
• Piperdines for use as orexin receptor antagonists
  申请人：——

  公开号：US20030186964A1

  公开（公告）日：2003-10-02

  Compounds of formula (I) wherein Y represents a group (CH 2 ) n , wherein n represents 0, 1 or 2; R 1 is phenyl, naphthyl, a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; or a group NR 3 R 4 wherein one of R 3 and R 4 is hydrogen or optionally substituted (C 1-4 )alkyl and the other is phenyl, naphthyl or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S, or R 3 and R 4 together with the N atom to which they are attached form a 5 to 7-membered cyclic amine which has an optionally fused phenyl ring; any of which R 1 groups may be optionally substituted; R 2 represents phenyl or a 5- or 6-membered hereroaryl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heteroaryl group is substituted by R 5 , and further optional substituents; or R 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R 5 represents an optionally substituted (C 1-4 )alkoxy, halo, optionally substituted (C 1-6 )alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing up to 3 heteroatoms selected from N, O and S; or pharmaceutically acceptable salts thereof.

  式(I)的化合物，其中Y代表(CH2)n的基团，其中n代表0、1或2；R1是苯基、萘基、含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团；或者是NR3R4的基团，其中R3和R4中的一个是氢或者可选取代的(C1-4)烷基，另一个是苯基、萘基或含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团，或者R3和R4与它们所连接的N原子一起形成一个5-7环的环状胺，该环状胺具有可选的融合苯基环；其中任何一个R1基团都可以是可选的取代基；R2代表苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂芳基基团，其中苯基或杂芳基基团被R5和其他可选的取代基取代；或者R2代表一个可选的取代的双环芳香基或双环杂芳基基团，其中含有最多3个来自N、O和S的杂原子；R5代表一个可选的取代的(C1-4)烷氧基、卤素、可选的取代的(C1-6)烷基、可选的取代的苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂环基，或其药学上可接受的盐。
• 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。
• N-aroyl piperazine derivatives as orexin receptor antagonists
  申请人：——

  公开号：US20040242575A1

  公开（公告）日：2004-12-02

  This invention relates to N-aroyl piperazine derivatives of formula (I), wherein: Y represents NR 2 ; 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; Ar 2 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 R 1 and further optional substituents; or Ar 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing 1 to 4 heteroatoms selected from N, O and S; R 1 represents optionally substituted (C 1-4 )alkoxy, halo, optionally substituted (C 1-6 )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 (C 1-6 )alkanoyl, optionally subtituted (C 1-6 )alkanoxycarbonyl or optionally substituted aryl(C 1-6 )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 NR 2 m代表1、2或3；p代表0或1；X是O、S、C═O、SO 2 或 CH&boxH；CH-； Ar 1 是芳基，或含有最多 4 个选自 N、O 和 S 的杂原子的单环或双环杂芳基，其中任一杂芳基可被任选取代；Ar 2 代表苯基或含有 1 至 3 个选自 N、O 和 S 的杂原子的 5 元或 6 元杂环基团，其中苯基杂环基团被 R 1 和其他任选取代基取代；或 Ar 2 代表含有 1 至 4 个选自 N、O 和 S 的杂原子的任选取代的双环芳香族或双环杂芳香族基团； R 1 代表任选取代的(C 1-4 烷氧基、卤代、任选取代的（C 1-6 烷基、任选取代的苯基或任选取代的含有 1 至 4 个选自 N、O 和 S 的杂原子的 5 或 6 元杂环； R?2 代表氢、任选取代的 (C 1-4 烷基、任选取代的 (C 1-6 )烷酰基、任选取代的(C 1-6) 1-6 )烷氧羰基或任选取代的芳基（C 1-6 烷氧基羰基；以及它们作为奥曲肽受体拮抗剂的用途。
• PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1289955B1

  公开（公告）日：2005-04-13