5-(4-[(4-fluoro-phenyl)-phenylmethylene]-piperidine-1-ylmethyl)-tetrahydrofuran-2-carboxylic acid ethyl ester | 354112-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-[(4-fluoro-phenyl)-phenylmethylene]-piperidine-1-ylmethyl)-tetrahydrofuran-2-carboxylic acid ethyl ester
• CAS: 354112-68-8
• 化学式: C₂₆H₃₀FNO₃
• 分子量: 423.528
• InChiKey: MRTHCYJFLVDYCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-(4-[(4-fluoro-phenyl)-phenylmethylene]-piperidine-1-ylmethyl)-tetrahydrofuran-2-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Pharmacological evaluation of a diarylmethylene-piperidine derivative: a new potent atypical antipsychotic?

  摘要：

  A new diaryl-methylene piperidine derivative, 2, displayed an atypical antipsychotic profile both in vitro and in vivo. The main pharmacological characteristics of this compound appears to reside in a more potent antagonism of the 5-HT2 serotonergic receptor than of the D2 dopaminergic receptor. This confirms that molecules displaying a D2/5-HT2 binding ratio <1 possess clozapine-like antipsychotic activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00200-1
• 作为产物：
  描述：

  5-(氯甲基)-2-糠酸甲酯 在 Rh on carbon 吡啶 、 盐酸 、 sodium hydroxide 、 氯化亚砜 、 氢气 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 甲苯 、 xylene 为溶剂， 生成 5-(4-[(4-fluoro-phenyl)-phenylmethylene]-piperidine-1-ylmethyl)-tetrahydrofuran-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Pharmacological evaluation of a diarylmethylene-piperidine derivative: a new potent atypical antipsychotic?

  摘要：

  A new diaryl-methylene piperidine derivative, 2, displayed an atypical antipsychotic profile both in vitro and in vivo. The main pharmacological characteristics of this compound appears to reside in a more potent antagonism of the 5-HT2 serotonergic receptor than of the D2 dopaminergic receptor. This confirms that molecules displaying a D2/5-HT2 binding ratio <1 possess clozapine-like antipsychotic activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00200-1