1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-phenylpropan-2-one | 167273-28-1

• 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: 1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-phenylpropan-2-one
• CAS: 167273-28-1
• 化学式: C₂₀H₂₃ClN₂O
• 分子量: 342.868
• InChiKey: FCEUQGBLWPHFPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-phenylpropan-2-one 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 1-(3-chlorobenzyl)-4-(5-methyl-4-phenyl-1H-pyrazol-3-ylmethyl)piperazine
  参考文献：
  名称：

  Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor

  摘要：

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00134-5
• 作为产物：
  描述：

  间氯氯苄 在 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-phenylpropan-2-one
  参考文献：
  名称：

  Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor

  摘要：

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00134-5

文献信息

• US5684006A
  申请人：——

  公开号：US5684006A

  公开（公告）日：1997-11-04
• Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor
  作者：Sylvie Bourrain、Ian Collins、Joseph G. Neduvelil、Michael Rowley、Paul D. Leeson、Smita Patel、Shil Patel、Frances Emms、Rosemarie Marwood、Kerry L. Chapman、Alan E. Fletcher、Graham A. Showell

  DOI：10.1016/s0968-0896(98)00134-5

  日期：1998.10

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.