1-(furan-2-yl)-3-(pyrrolidin-1-yl)propan-1-one hydrochloride | 91247-20-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(furan-2-yl)-3-(pyrrolidin-1-yl)propan-1-one hydrochloride
• CAS: 91247-20-0
• 化学式: C₁₁H₁₅NO₂*ClH
• 分子量: 229.707
• InChiKey: RPXRVDCPLCBRAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  33.45
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(furan-2-yl)-3-(pyrrolidin-1-yl)propan-1-one hydrochloride 在 sodium tetrahydroborate 、 potassium tert-butylate 作用下， 以 甲醇 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 2.5h， 生成 1-(3-(2,5-difluorobenzyloxy)-3-(furan-2-yl)propyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents

  摘要：

  A series of benzyloxy furanyl and benzyloxy thiophenyl azoles were synthesized and screened for their in vitro antileishmanial activity against Leishmania donovani. Among all, 16 compounds have shown more than 90% inhibition against promastigotes at 20 mu M while 11 compounds exhibited IC50 in the range of 3.04-9.39 mu M against amastigotes. Compound 4, a 3-chlorobenzyloxy furanyl imidazole emerged as the most active compound in the series with IC50 value of 3.04 mu M and SI value of 19.80, and was several folds more potent than the reference drugs miltefosine and miconazole. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.021
• 作为产物：
  描述：

  2-乙酰基呋喃 、 聚合甲醛 、 吡咯烷盐酸盐 在 盐酸 作用下， 以 水 、 异丙醇 为溶剂， 反应 0.5h， 生成 1-(furan-2-yl)-3-(pyrrolidin-1-yl)propan-1-one hydrochloride
  参考文献：
  名称：

  Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents

  摘要：

  A series of benzyloxy furanyl and benzyloxy thiophenyl azoles were synthesized and screened for their in vitro antileishmanial activity against Leishmania donovani. Among all, 16 compounds have shown more than 90% inhibition against promastigotes at 20 mu M while 11 compounds exhibited IC50 in the range of 3.04-9.39 mu M against amastigotes. Compound 4, a 3-chlorobenzyloxy furanyl imidazole emerged as the most active compound in the series with IC50 value of 3.04 mu M and SI value of 19.80, and was several folds more potent than the reference drugs miltefosine and miconazole. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.021