N-(1-adamantyl)-2-bromopropionamide | 54059-84-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(1-adamantyl)-2-bromopropionamide
• 英文别名: N-(adamantan-1-yl)-2-bromopropanamide；N-(1-adamantyl)-2-bromopropanamide
• CAS: 54059-84-6
• 化学式: C₁₃H₂₀BrNO
• 分子量: 286.212
• InChiKey: ZUMBWSIDJYDUBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  401.5±24.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(1-adamantyl)-2-bromopropionamide 、 (R)-N-((R)-1-(2-(2,2,2-trifluoroethoxy)thiazol-5-yl)ethyl)pyrrolidine-3-carboxamide 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以40%的产率得到(3R)-1-(1-((adamantan-1-yl)amino)-1-oxopropan-2-yl)-N-((R)-1-(2-(2,2,2-trifluoroethoxy)thiazol-5-yl)ethyl)pyrrolidine-3-carboxamide
  参考文献：
  名称：

  EP3404021

  摘要：

  公开号：
• 作为产物：
  描述：

  金刚烷胺 、 2-溴丙酰溴 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 28.0h， 以82%的产率得到N-(1-adamantyl)-2-bromopropionamide
  参考文献：
  名称：

  Pseudo-graft polymer based on adamantyl-terminated poly(oligo(ethylene glycol) methacrylate) and homopolymer with cyclodextrin as pendant: its thermoresponsivity through polymeric self-assembly and host–guest inclusion complexation

  摘要：

  温度响应性和基于Ad端基聚（寡聚乙二醇）甲基丙烯酸酯和带有CD挂链的均聚物的伪接枝聚合物的自组装。

  DOI：

  10.1039/c3ra47861k

文献信息

• N-benzhydryl-substituted heterocyclic derivatives, their preparation and
  申请人：Sankyo Company Limited

  公开号：US05028610A1

  公开（公告）日：1991-07-02

  Compounds of formula (I): A--M--B-- (I) (in which: M represents a saturated heterocyclic group having from 5 to 7 ring atoms of which 2 are nitrogen atoms, said group being unsubstituted or being substituted at any of its carbon atoms by C.sub.1 -C.sub.6 alkyl and/or oxo substituents: A represents a halo-substituted benzhydryl substituent; and B represents certain specific substituted alkyl groups) and salts thereof are valuable for the treatment and prophylaxis of disorders arising from circulatory problems, especially those affecting the brain. They may be prepared by reacting a compound of formula A--M--H with a halo or acyloxy derivative corresponding to the alkyl substituent B which it is desired to introduce.

  公式（I）的化合物：A--M--B--（其中：M代表饱和杂环基团，含有5至7个环原子，其中2个是氮原子，该基团未取代或在其任何碳原子上被C.sub.1-C.sub.6烷基和/或氧代取代物取代：A代表卤代苄基取代物；B代表特定的取代烷基基团）及其盐对于治疗和预防由循环问题引起的疾病，特别是影响大脑的疾病，具有重要价值。它们可以通过将公式A--M--H的化合物与对应于所需引入的烷基取代物B的卤代或酰氧衍生物反应制备。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3404021A1

  公开（公告）日：2018-11-21

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.

  由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、其药学上可接受的盐或其溶液可用作电压依赖性 T 型钙通道阻滞剂： 其中 A 代表可具有取代基的融合环，该融合环由 5 元杂芳基或 5 元或 6 元杂环和苯环或类似物组成，5 元杂芳基具有 1 至 3 个相同或不同的杂原子作为成环元素，具有至少一个取代基，例如具有 1 至 8 个碳原子并被 1 至 5 个卤素原子取代的烷氧基；R 代表氢原子或类似物；B 代表 CR5(Q1) 或 NQ2，其中 Q1 代表可能具有取代基的苯并咪唑基；Q2 代表可能具有取代基的具有 1 至 8 个碳原子的烷基、可能具有取代基的杂芳基或类似物；R0、R1、R2、R3、R4 和 R5 各代表氢原子或类似物；n 和 m 各代表 0、1 或 2，但 n 和 m 不能同时为 0 和 2。
• N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use
  申请人：Sankyo Company Limited

  公开号：EP0283310B1

  公开（公告）日：1993-05-26
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US20190077767A1

  公开（公告）日：2019-03-14

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.
• US5028610A
  申请人：——

  公开号：US5028610A

  公开（公告）日：1991-07-02