1-(aminomethyl)isoquinoline dihydrochloride | 19382-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(aminomethyl)isoquinoline dihydrochloride
• 英文别名: Isoquinolin-1-ylmethanamine hydrochloride；isoquinolin-1-ylmethanamine;hydrochloride
• CAS: 19382-38-8
• 化学式: C₁₀H₁₀N₂*2ClH
• mdl: MFCD11099494
• 分子量: 231.125
• InChiKey: WKDWEZVBPUQBNW-UHFFFAOYSA-N

物化性质

• 熔点：
  187-188 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.9
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(aminomethyl)isoquinoline dihydrochloride 在 TEA 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.07h， 生成 imidazo<5,1-a>isoquinoline
  参考文献：
  名称：

  Langry, Kevin C., Organic Preparations and Procedures International, 1994, vol. 26, # 4, p. 429 - 438

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(1-异喹啉基)-2-苯基-2-恶唑啉-5-酮 在 盐酸 作用下， 反应 6.0h， 以73%的产率得到1-(aminomethyl)isoquinoline dihydrochloride
  参考文献：
  名称：

  Yousif, M. Mohammed; Saeki, S.; Hamana, M., Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 1029 - 1034

  摘要：

  DOI：

文献信息

• Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists
  申请人：——

  公开号：US20040058912A1

  公开（公告）日：2004-03-25

  The invention relates to novel benzazepines and related heterocyclic derivatives (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  该发明涉及新型苯并吡嗪和相关杂环衍生物（I），以及它们作为药物组成物中的活性成分的用途。该发明还涉及相关方面，包括用于制备这些化合物的过程、含有这些化合物中的一个或多个的药物组成物，特别是它们作为促进睡眠的受体拮抗剂的用途。
• Formation of imidazopyridines by the phase transfer catalyzed reaction of .alpha.-(aminomethyl)pyridines and CHCl3 with alkaline hydroxide
  作者：Kevin C. Langry

  DOI：10.1021/jo00007a028

  日期：1991.3

  The reaction of chloroform with 2-(aminomethyl)pyridine (1) under basic phase-transfer catalysis affords the highly fluorescent imidazo[1,5-alpha]pyridine (2) in 25% isolated yield. Despite the formation of considerable tarry residue, GC-MS indicates that the volatile fraction of the reaction is simple and consists of 2 and two minor residue, GC-MS indicates that the volatile fraction of the reaction is simple and consists of 2 and two minor components identified as N-(2-pyridylmethyl)formamide (6) and (2-pyridylmethyl)isonitrile (7). The basic phase transfer catalyzed reaction of chloroform with a series of alpha-(aminomethyl)azanaphthalenes was found to be general and yield the corresponding annulated imidazo derivaties in comparable yields. Despite product yields in the 25% range, GC of the reaction mixtures indicates that the volatile fractions generally consist of residual starting aminomethyl compound, the imidazo product, and a minor amount of the (alpha-azanaphthylmethyl)formamide. However, 3-(aminomethyl)isoquinoline (18) failed to provide any of the expected imidazo[1,5-b]isoquinoline (19). The failure to detect 19 was investigated.
• Yousif, M. Mohammed; Saeki, S.; Hamana, M., Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 1029 - 1034
  作者：Yousif, M. Mohammed、Saeki, S.、Hamana, M.

  DOI：——

  日期：——
• Langry, Kevin C., Organic Preparations and Procedures International, 1994, vol. 26, # 4, p. 429 - 438
  作者：Langry, Kevin C.

  DOI：——

  日期：——