5-溴-2-噻吩乙胺氢溴酸 | 381666-13-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-溴-2-噻吩乙胺氢溴酸
• 英文名称: 5-bromothiophenethylamine hydrobromide
• 英文别名: 2-(5-Bromothiophen-2-yl)ethanamine hydrobromide；2-(5-bromothiophen-2-yl)ethanamine;hydrobromide
• CAS: 381666-13-3
• 化学式: BrH*C₆H₈BrNS
• mdl: MFCD08873637
• 分子量: 287.018
• InChiKey: DUTRAKOBMCMZOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  imidazole-1-carbothionic acid (5-bromopyridin-2-yl)amide 、 5-溴-2-噻吩乙胺氢溴酸 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 N-[2-(5-bromothiophen-2-yl)ethyl]-N'-(5-bromo-2-pyridyl)thiourea
  参考文献：
  名称：

  Regiospecific synthesis, X-ray crystal structure and biological activities of 5-bromothiophenethyl thioureas

  摘要：

  The regiospecific synthesis of 5-bromothiophenethyl thioureas was accomplished in four steps with an overall yield of 40-60%. The requisite regioselectivity for bromination of the thiophene ring was achieved using bromine in acetic acid at low temperatures. The resulting 5-bromothiophenethylamine hydrobromide is an important precursor for the preparation of substituted thioureas. The X-ray crystal structure demonstrates that the bromine atom is indeed located at the 5-position of the thiophene ring. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01290-4
• 作为产物：
  描述：

  噻吩乙胺 在 溴 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 反应 6.0h， 生成 5-溴-2-噻吩乙胺氢溴酸
  参考文献：
  名称：

  Regiospecific synthesis, X-ray crystal structure and biological activities of 5-bromothiophenethyl thioureas

  摘要：

  The regiospecific synthesis of 5-bromothiophenethyl thioureas was accomplished in four steps with an overall yield of 40-60%. The requisite regioselectivity for bromination of the thiophene ring was achieved using bromine in acetic acid at low temperatures. The resulting 5-bromothiophenethylamine hydrobromide is an important precursor for the preparation of substituted thioureas. The X-ray crystal structure demonstrates that the bromine atom is indeed located at the 5-position of the thiophene ring. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01290-4