7-bromo-1,2-dimethyl-3,4-dihydro-1H-isoquinoline | 1315319-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 7-bromo-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
• CAS: 1315319-79-9
• 化学式: C₁₁H₁₄BrN
• 分子量: 240.143
• InChiKey: YCIISILDMJZNGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  265.5±40.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-bromo-1,2-dimethyl-3,4-dihydro-1H-isoquinoline 、 tert-butyl ((3-chloro-6-ethynylbenzo[b]thiophen-2-yl)methyl)carbamate 在 盐酸 、 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [3-chloro-6-[2-(1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethynyl]-1-benzothiophen-2-yl]methanamine
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064
• 作为产物：
  描述：

  7-溴-3,4-二氢-2H-异喹啉-1-酮 在 硫酸 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 生成 7-bromo-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064

文献信息

• [EN] 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS<br/>[FR] 6-HALO-PYRAZOLO[1,5-A]PYRIDINES, LEUR MÉTHODE DE PRÉPARATION ET LEUR UTILISATION COMME MODULATEURS DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE (MGLUR)
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2009095253A1

  公开（公告）日：2009-08-06

  The invention relates to 6-halo-pyrazolo[1, 5-a] pyridines of formula (I) as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are mGluR5 modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.