1-[5-(methoxymethyl)furan-2-yl]-N,N-dimethylmethanamine | 158687-88-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[5-(methoxymethyl)furan-2-yl]-N,N-dimethylmethanamine
• CAS: 158687-88-8
• 化学式: C₉H₁₅NO₂
• 分子量: 169.224
• InChiKey: AWNMKZNBCRYQQV-UHFFFAOYSA-N

物化性质

• 沸点：
  186.8±30.0 °C(Predicted)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  25.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[5-(methoxymethyl)furan-2-yl]-N,N-dimethylmethanamine 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.75h， 生成 5-(二甲氨基)甲基-2-呋喃甲醇
  参考文献：
  名称：

  WO2008/108957

  摘要：

  公开号：
• 作为产物：
  描述：

  糠醇 在 sodium hydride 、 溶剂黄146 作用下， 反应 3.0h， 生成 1-[5-(methoxymethyl)furan-2-yl]-N,N-dimethylmethanamine
  参考文献：
  名称：

  Cholinergic agents structurally related to furtrethonium. 1

  摘要：

  A series of 5-substituted-2-(dimethylaminomethyl)-furyl derivatives 4 was prepared, with the aim of discovering novel antimuscarinic agents which are selective for smooth muscle as opposed to cardiac tissue. Both non-quaternary and quaternary ammonium compounds were synthesised. The agonist starting point, furtrethonium 3, was gradually transformed into antagonist by introduction of lipophilic and bulky groups in position 5 of this molecule. In particular, the introduction of alpha-hydroxy-alpha-cyclohexylbenzyl moiety (compound 9b), a lipophilic group characteristic of antimuscarinic agents, caused an appreciable increase of the antagonist's potency, and the lengthening of the distance between this lipophilic group and the furan ring, obtained by introduction of an ester, ether or amide group, led to some selectivity towards smooth muscle (compounds 19, 21, 25). Interestingly, compound 19, with an ester moiety as a spacer group, proved to be at least 20 times more potent in rat ileum (pK(B) = 7.3) and rat bladder (pK(B) = 7.2) than guinea-pig atria (pK(B) = 5.9).

  DOI：

  10.1016/0223-5234(94)90213-5

文献信息

• Quinazoline Derivatives, Preparation Methods and Uses Thereof
  申请人：Guo Jianhui

  公开号：US20080300248A1

  公开（公告）日：2008-12-04

  The present invention has disclosed a compound of formula I and a pharmaceutically acceptable salt or a solvate thereof, wherein the substituents are as defined in the description. The invention has also disclosed a method for preparing the compound of formula I, the pharmaceutical compositions comprising the same and their uses in the preparation of an anti-tumor medicament.

  本发明公开了公式I的化合物以及药用可接受的盐或溶剂化物，其中取代基如描述中定义。本发明还公开了制备公式I化合物的方法，包含该化合物的药物组合物及其在制备抗肿瘤药物中的用途。
• Quinazoline Derivatives Useful as Anti-Tumor Medicament
  申请人：Guo Jianhui

  公开号：US20110245246A1

  公开（公告）日：2011-10-06

  he present invention has disclosed a compound of formula I and a pharmaceutically acceptable salt or a solvate thereof, wherein the substituents are as defined in the description. The invention has also disclosed a method for preparing the compound of formula I, the pharmaceutical compositions comprising the same and their uses in the preparation of an anti-tumor medicament.

  本发明公开了一种公式I的化合物及其药学上可接受的盐或溶剂化物，其中取代基如描述中所定义。本发明还公开了一种制备公式I化合物的方法，以及包含其的制药组合物及其在制备抗肿瘤药物中的用途。
• US8044063B2
  申请人：——

  公开号：US8044063B2

  公开（公告）日：2011-10-25
• US8309563B2
  申请人：——

  公开号：US8309563B2

  公开（公告）日：2012-11-13
• WO2008/108957
  申请人：——

  公开号：——

  公开（公告）日：——