4-(戊-2-基)吗啉 | 71298-87-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(戊-2-基)吗啉
• 英文名称: 4-(pentan-2-yl)morpholine
• 英文别名: N-2-pentylmorpholine；4-(1-methyl-butyl)-morpholine；4-(1-Methyl-butyl)-morpholin；2-Morpholino-pentan；4-Pentan-2-ylmorpholine
• CAS: 71298-87-8
• 化学式: C₉H₁₉NO
• 分子量: 157.256
• InChiKey: ZGBULBQFJOLCJK-UHFFFAOYSA-N

物化性质

• 沸点：
  200.9±15.0 °C(Predicted)
• 密度：
  0.905±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吗啉 、 2-戊醇 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 双(2-二苯基磷苯基)醚 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 24.17h， 以88%的产率得到4-(戊-2-基)吗啉
  参考文献：
  名称：

  Hamid, M. Haniti S. A.; Allen, C. Liana; Lamb, Gareth W., Journal of the American Chemical Society, 2009, vol. 131, p. 1766 - 1774

  摘要：

  DOI：

文献信息

• Kinetics and mechanism of nucleophilic displacements with heterocycles as leaving groups. Part 23. Studies at the borderlines between reactions proceeding (<i>i</i>) via free carbocations, (<i>ii</i>) via rate-determining formation of ion–molecule pairs, and (<i>iii</i>) via rate-determining nucleophilic attack on ion–molecule pairs
  作者：Alan R. Katritzky、Bogumil Brycki

  DOI：10.1139/v86-192

  日期：1986.6.1

  first-order reaction via nucleophilic trapping of intimate ion–molecule pairs and first-order reaction via the formation of free carbocations, both mechanisms proceed independently, without merging. Similarly at the borderline between first-order (rate-determining formation) and second-order (rate-determining nucleophilic attack) reactions of intimate ion–molecule pairs, both reactions again proceed

  有证据表明，在通过亲核离子-分子对的亲核俘获的一级反应和通过形成游离碳正离子的一级反应之间的边界处，两种机制独立进行，没有合并。类似地，在紧密离子-分子对的一级（决定速率的形成）和二级（决定速率的亲核攻击）反应之间的边界处，这两个反应再次独立进行。
• 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative
  申请人：Yasuhara Akito

  公开号：US20070021394A1

  公开（公告）日：2007-01-25

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administraiton A 2-amino-bicyclo[3.1.0] hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R 1 and R 2 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR 3 R 4 or the like (wherein R 3 and R 4 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，可用于治疗和预防精神障碍，如精神分裂症、焦虑症及相关疾病、抑郁症、双相情感障碍和癫痫等。该药物拮抗II类代谢型谷氨酸受体的作用，并在口服给药中表现出高活性。该药物是2-氨基双环[3.1.0]己烷-2,6-二羧酸酯衍生物，化学式为[I]（其中R1和R2相同或不同，分别表示氢原子，C1-10烷基或类似物；X表示氢原子或氟原子；Y表示—OCHR3R4或类似物（其中R3和R4相同或不同，分别表示氢原子，C1-10烷基或类似物；n表示整数1或2），其药学上可接受的盐或水合物。
• 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative
  申请人：YASUHARA Akito

  公开号：US20090306408A1

  公开（公告）日：2009-12-10

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administration A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R 1 and R 2 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR 3 R 4 or the like (wherein R 3 and R 4 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，对治疗和预防精神障碍如精神分裂症、焦虑和相关疾病、抑郁症、躁郁症和癫痫有效。该药物拮抗II类代谢型谷氨酸受体的作用，在口服给药时显示出高活性。该药物为2-氨基-双环[3.1.0]己烷-2,6-二羧酸酯衍生物，化学式为[I]（其中R1和R2相同或不同，分别表示氢原子、C1-10烷基或类似物；X表示氢原子或氟原子；Y表示—OCHR3R4或类似物（其中R3和R4相同或不同，分别表示氢原子、C1-10烷基或类似物；n表示整数1或2），其药物可接受的盐或水合物。
• 3-SUBSTITUTED-6-ARYL PYRIDINES
  申请人：Hutchinson Alan J.

  公开号：US20110281837A1

  公开（公告）日：2011-11-17

  3-substituted-6-aryl pyridines of Formula I are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物：其中R1、R2、R3、R8、R9、A和Ar的定义在此处。这些化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合到C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的制药组合物，以及将这些化合物用于治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体定位的探针。
• 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE
  申请人：YASUHARA Akito

  公开号：US20120004232A1

  公开（公告）日：2012-01-05

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administration A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R1 and R2 are identical or different, and each represents a hydrogen atom, a C1-10alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR3R4 or the like (wherein R3 and R4 are identical or different, and each represents a hydrogen atom, a C1-10alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，有效治疗和预防精神障碍，如精神分裂症，焦虑和相关疾病，抑郁症，双相障碍和癫痫。该药物拮抗II类代谢型谷氨酸受体的作用，在口服给药中显示高活性。该药物是2-氨基-双环[3.1.0]己烷-2,6-二羧酸酯衍生物，由式[I]表示[其中R1和R2相同或不同，每个代表氢原子，C1-10烷基或类似物; X代表氢原子或氟原子; Y代表—OCHR3R4或类似物（其中R3和R4相同或不同，每个代表氢原子，C1-10烷基或类似物; n表示整数1或2）]，其药学上可接受的盐或水合物。