N-(2-chloroethyl)-N-(2-chloropropyl)methylamine hydrochloride | 25772-52-5

• 英文名称: N-(2-chloroethyl)-N-(2-chloropropyl)methylamine hydrochloride
• 英文别名: (2-chloro-ethyl)-(2-chloro-propyl)-methyl-amine; hydrochloride；(2-Chlor-aethyl)-(2-chlor-propyl)-methyl-amin; Hydrochlorid
• CAS: 25772-52-5
• 化学式: C₆H₁₃Cl₂N*ClH
• 分子量: 206.543
• InChiKey: KKTCXYLEOMCQNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  10.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  N-(2-chloroethyl)-N-(2-chloropropyl)methylamine hydrochloride 在 sodium hydroxide 、 十六烷基三丁基溴化铵 作用下， 以 乙醚 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis and analgesic activity of 3-methyl derivatives of 4-(pyridyl) isosteres of ketobemidone

  摘要：

  A series of cis- and trans-1,3-dimethyl-4-propionyl-4-(pyridyl)piperidines 7 were prepared. Analgesic testing, using the rat 4% NaCl writhing assay, indicated that cis- and trans-7 were generally more potent than the corresponding 3-unsubstituted analogues 2. The point of attachment of the pyridyl ring to the C-4 position was a determinant of activity for the cis-diastereomers 7 where the relative potency order was 2-pyridyl (7a) greater-than-or-equal-to 4-pyridyl (7e) > 3-pyridyl (7c). Compounds 7 possessing cis-(3-Me/pyridyl) substituents were generally more active than the corresponding trans-(3-Me/pyridyl) diastereomer. The most potent compound, cis-1,3-dimethyl-4-propionyl-4-(2-pyridyl)piperidine 7a, inhibited writhing by 82% for a 2 mg/kg sc dose relative to the reference drug meperidine (ED50 = 0.6 mg/kg sc).

  DOI：

  10.1016/0223-5234(92)90065-9
• 作为产物：
  描述：

  N-(2-hydroxyethyl)-N-(2-hydroxypropyl)methylamine 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 以76%的产率得到N-(2-chloroethyl)-N-(2-chloropropyl)methylamine hydrochloride
  参考文献：
  名称：

  Synthesis and analgesic activity of 3-methyl derivatives of 4-(pyridyl) isosteres of ketobemidone

  摘要：

  A series of cis- and trans-1,3-dimethyl-4-propionyl-4-(pyridyl)piperidines 7 were prepared. Analgesic testing, using the rat 4% NaCl writhing assay, indicated that cis- and trans-7 were generally more potent than the corresponding 3-unsubstituted analogues 2. The point of attachment of the pyridyl ring to the C-4 position was a determinant of activity for the cis-diastereomers 7 where the relative potency order was 2-pyridyl (7a) greater-than-or-equal-to 4-pyridyl (7e) > 3-pyridyl (7c). Compounds 7 possessing cis-(3-Me/pyridyl) substituents were generally more active than the corresponding trans-(3-Me/pyridyl) diastereomer. The most potent compound, cis-1,3-dimethyl-4-propionyl-4-(2-pyridyl)piperidine 7a, inhibited writhing by 82% for a 2 mg/kg sc dose relative to the reference drug meperidine (ED50 = 0.6 mg/kg sc).

  DOI：

  10.1016/0223-5234(92)90065-9