4-(2-methoxy-1-naphthyl)butanoic acid | 231949-39-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(2-methoxy-1-naphthyl)butanoic acid
• 英文别名: 4-(2-methoxy-[1]naphthyl)-butyric acid；4-(2-Methoxy-[1]naphthyl)-buttersaeure；4-(2-Methoxynaphthalen-1-yl)butanoic acid
• CAS: 231949-39-6
• 化学式: C₁₅H₁₆O₃
• mdl: MFCD06810341
• 分子量: 244.29
• InChiKey: QBXQMSYOUZFSPT-UHFFFAOYSA-N

物化性质

• 熔点：
  81-83 °C
• 沸点：
  420.5±20.0 °C(Predicted)
• 密度：
  1.174±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.266
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-methoxy-1-naphthyl)butanoic acid 在 lithium aluminium tetrahydride 、 乙醚 、 氢溴酸 、 溶剂黄146 作用下， 生成 1,2,3,4-tetrahydronaphtho[2,1-b]oxepine
  参考文献：
  名称：

  Chatterjea, Journal of the Indian Chemical Society, 1955, vol. 32, p. 203

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2-甲氧基萘-1-基)-4-氧代丁酸 在 盐酸 、 amalgamated zinc 、 甲苯 作用下， 生成 4-(2-methoxy-1-naphthyl)butanoic acid
  参考文献：
  名称：

  Chatterjea, Journal of the Indian Chemical Society, 1955, vol. 32, p. 203

  摘要：

  DOI：

文献信息

• Tricyclic compounds, preparation method and pharmaceutical compositions containing same
  申请人：Les Laboratoires Servier

  公开号：US06423870B1

  公开（公告）日：2002-07-23

  The invention concerns compounds of formula (I) in which: A forms a tricyclic system of formula A1, A2, A3 or A4; R1 represents a hydrogen atom, an alkyl, hydroxy, alkoxy or oxo group; (R2)m and (R3)m′ are such as defined in the description; n represents an integer such that 0≦n≦3; p represents an integer such as defined in the description; B represents a group (a) or (b). The invention is useful for preparing medicines.

  本发明涉及公式（I）的化合物，其中：A形成公式A1、A2、A3或A4的三环系统；R1代表氢原子、烷基、羟基、烷氧基或氧代基；（R2）m和（R3）m'如描述中所定义；n表示整数，使得0≤n≤3；p表示如描述中所定义的整数；B代表组（a）或（b）。本发明用于制备药物。
• Sergiewskaja et al., Zhurnal Obshchei Khimii, 1950, vol. 20, p. 2314,2317; engl. Ausg. S. 2411, 2414
  作者：Sergiewskaja et al.

  DOI：——

  日期：——
• Structure–activity relationships of novel piperazines as antagonists for the melanocortin-4 receptor
  作者：Dai Nozawa、Taketoshi Okubo、Takaaki Ishii、Hiroyuki Kakinuma、Shigeyuki Chaki、Shigeru Okuyama、Atsuro Nakazato

  DOI：10.1016/j.bmc.2006.12.039

  日期：2007.3

  During the investigation of antagonists for the MC4 receptor, we found that 10ab having a naphthyl group showed almost the same binding affinity for the MC4 receptor as that of the lead compound I with a benzoyl group. We also developed a new type of compounds.. namely, bis-piperazines, and found that the bis-piperazines 10 exhibited a high affinity for the MC4 receptor. In particular, (-)-10bg exhibited the highest affinity for the MC4 receptor with an IC50 value of 8.13 nM. In this paper, we present the design, synthesis, and structure-activity relationships of the novel bis-piperazines as MC4 receptor antagonists. (c) 2007 Elsevier Ltd. All rights reserved.
• The Synthesis of 1-Hydroxycyclohepta [de] naphthalene¹
  作者：Richard C. Gilmore、W. J. Horton

  DOI：10.1021/ja01158a023

  日期：1950.2
• US6423870B1
  申请人：——

  公开号：US6423870B1

  公开（公告）日：2002-07-23