1-Benzyl-3-piperidinessigsaeure | 64995-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Benzyl-3-piperidinessigsaeure
• 英文别名: 2-(1-Benzylpiperidin-3-YL)acetic acid
• CAS: 64995-90-0
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: QJHMRAUNAZTRTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-Benzyl-3-piperidinessigsaeure 在 盐酸 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 、 乙腈 为溶剂， 20.0~80.0 ℃ 、324.24 kPa 条件下， 反应 24.67h， 生成 (+/-)-6,7-dimethoxy-2-({1-[3-(2-methoxyphenoxy)propyl]-3-piperidyl}acetyl)-1,2,3,4-tetrahydroisoquinoline monooxalate
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of N -acyl-1,2,3,4-tetrahydroisoquinoline derivatives as novel specific bradycardic agents

  摘要：

  A series of N-acyl-1,2,3,4-tetrahydroisoquinoline derivatives were synthesized and evaluated for their bradycardic activities in isolated guinea pig right atria and in urethane-anesthetized rats. These efforts resulted in identification of the compound 8a, which exhibits potent bradycardic activity with minimal influence on mean blood pressure in urethane-anesthetized rats. Oral administration of compound 8a to conscious rats revealed increased potency and prolonged duration of action when compared to Zatebradine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.032
• 作为产物：
  描述：

  ethyl 2-(1-benzylpiperidin-3-yl)acetate;hydrochloride 以20%的产率得到
  参考文献：
  名称：

  NAGAI YASUTAKA; UNO HITOSHI; UMEMOTO SUSUMU, CHEM. AND PHARM. BULL., 1977, 25, NO 8, 1911-1922

  摘要：

  DOI：

文献信息

• US5532255A
  申请人：——

  公开号：US5532255A

  公开（公告）日：1996-07-02
• US5741800A
  申请人：——

  公开号：US5741800A

  公开（公告）日：1998-04-21
• Synthesis and pharmacological evaluation of N -acyl-1,2,3,4-tetrahydroisoquinoline derivatives as novel specific bradycardic agents
  作者：Hideki Kubota、Toshihiro Watanabe、Akio Kakefuda、Noriyuki Masuda、Kouichi Wada、Noe Ishii、Shuichi Sakamoto、Shinichi Tsukamoto

  DOI：10.1016/j.bmc.2003.12.032

  日期：2004.3

  A series of N-acyl-1,2,3,4-tetrahydroisoquinoline derivatives were synthesized and evaluated for their bradycardic activities in isolated guinea pig right atria and in urethane-anesthetized rats. These efforts resulted in identification of the compound 8a, which exhibits potent bradycardic activity with minimal influence on mean blood pressure in urethane-anesthetized rats. Oral administration of compound 8a to conscious rats revealed increased potency and prolonged duration of action when compared to Zatebradine. (C) 2004 Elsevier Ltd. All rights reserved.
• NAGAI YASUTAKA; UNO HITOSHI; UMEMOTO SUSUMU, CHEM. AND PHARM. BULL., 1977, 25, NO 8, 1911-1922
  作者：NAGAI YASUTAKA、 UNO HITOSHI、 UMEMOTO SUSUMU

  DOI：——

  日期：——