3-(1-adamantyl)propanoyl chloride | 118550-72-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3-(1-adamantyl)propanoyl chloride
• CAS: 118550-72-4
• 化学式: C₁₃H₁₉ClO
• 分子量: 226.746
• InChiKey: XLSNMERJQIAAOV-UHFFFAOYSA-N

物化性质

• 沸点：
  298.0±9.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(1-adamantyl)propanoyl chloride 以 苯 为溶剂， 生成 ethyl 5-(1-adamantyl)pentynoate
  参考文献：
  名称：

  摘要：

  Sodium derivative of diethyl(3-amino-1-ethoxycarbonylpropane)phosphonic acid was obtained by reaction of triethyl phosphonoacetate with ethylene imine in the presence of sodium hydride. The compound obtained was brought into Horner-Emmons reaction with carbonyl derivatives of adamantane series to afford the corresponding unsaturated amino acids. From adamantanecarbonyl chlorides and triphenylphosphonium ethoxycarbonylmethylide new phosphorus acylylides that on thermolysis provide ethyl acetylenecarboxylates containing an adamantyl substituent were prepared.

  DOI：

  10.1023/a:1015501313852
• 作为产物：
  描述：

  3-(1-金刚烷)丙酸 在 氯化亚砜 作用下， 反应 1.5h， 生成 3-(1-adamantyl)propanoyl chloride
  参考文献：
  名称：

  Synthesis and Properties of N,N′-Disubstituted Ureas and Their Isosteric Analogs Containing Polycyclic Fragments: III. Synthesis and Properties ofN-[2-(Adamantan-1-yl)ethyl]-N′-R-ureas

  摘要：

  Methods have been developed for the synthesis ofN,N '-disubstituted ureas containing an adamantane fragment separated from the urea nitrogen atom by an ethylene spacer in 29-88% yields on the basis of 2-(adamantan-1-yl)ethyl isocyanate and 2-(adamantan-1-yl)ethanamine. 1,1 '-Carbonyldiimidazole was used for the first time to obtain 2-(adamantan-1-yl)ethyl isocyanate. The latter was formed through a stable intermediate product,N-[2-(adamantan-1-yl)ethyl]-1H-imidazole-1-carboxamide which could be isolated and used in the synthesis of symmetrically and unsymmetrically substituted ureas.

  DOI：

  10.1134/s1070428020070027

文献信息

• Adamantane derivatives
  申请人：Alcaraz Lilian

  公开号：US20050049303A1

  公开（公告）日：2005-03-03

  The invention provides adamantane derivatives of formula (I), a process for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and their use in therapy. In formula (I) D represents CH 2 or CH 2 CH 2 , E represents C(O)NH or NHC(O) and R 3 represents a group of formula (I).

  该发明提供了公式（I）的金刚烷衍生物，其制备过程，含有它们的制药组合物，制备该制药组合物的过程以及它们在治疗中的应用。在公式（I）中，D代表CH2或CH2CH2，E代表C（O）NH或NHC（O），R3代表公式（I）的一组基团。
• Acylhydrazine P2X7 antagonists and uses thereof
  申请人：Nelson W. Derek

  公开号：US20060276505A1

  公开（公告）日：2006-12-07

  The present invention discloses a compound of formula (I) or a pharmaceutically acceptable salt or prodrug thereof, wherein D, A, m, n, R x and R y are defined in the description. The present invention also relates to pharmaceutical compositions of compounds of formula (I), which are useful for treating a disorder selected from the group consisting of chronic inflammatory pain, neuropathic pain, inflammation, neurodegeneration, depression and promoting neuroregeneration. The present invention also relates to a method for treating pain, neuropathic pain, inflammation, chronic inflammatory pain, neurodegeneration, depression and promoting neuroregeneration in a mammal using compounds of formula (II), a pharmaceutically acceptable salt, ester, amide or prodrug thereof, wherein R 3 and R 4 are defined in the description.

  本发明揭示了一种式（I）的化合物或其药学上可接受的盐或前药，其中D，A，m，n，Rx和Ry在说明中定义。本发明还涉及式（I）化合物的药物组合物，其用于治疗选择自慢性炎性疼痛、神经病理性疼痛、炎症、神经退行性疾病、抑郁症和促进神经再生的疾病。本发明还涉及一种使用式（II）化合物、其药学上可接受的盐、酯、酰胺或前药治疗哺乳动物的疼痛、神经病理性疼痛、炎症、慢性炎性疼痛、神经退行性疾病、抑郁症和促进神经再生的方法，其中R3和R4在说明中定义。
• Potassium channel modulators
  申请人：Scanio Marc J.

  公开号：US08962639B2

  公开（公告）日：2015-02-24

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein ring G1, X, R1, and R2 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文公开了式(I)的KCNQ钾通道调节剂，其中环G1、X、R1和R2如规范中定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• POTASSIUM CHANNEL MODULATORS
  申请人：Scanio Marc J.

  公开号：US20100305109A1

  公开（公告）日：2010-12-02

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein ring G 1 , X, R 1 , and R 2 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文披露了公式（I）中的KCNQ钾通道调节剂，其中环G1、X、R1和R2如规范所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Brii Biosciences, Inc.

  公开号：US20220233567A1

  公开（公告）日：2022-07-28

  Disclosed herein are adenosine derivative prodrugs and compositions thereof that can be used for the treatment of HIV infection or RNA virus infection.

  本文披露了腺苷衍生物前药及其组合物，可用于治疗HIV感染或RNA病毒感染。