2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid | 130566-58-4

• 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: 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid
• 英文别名: 2-[4-(2-Piperidino-aethoxy)-benzoyl]-benzoesaeure；Benzoic acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-；2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoic acid
• CAS: 130566-58-4
• 化学式: C₂₁H₂₃NO₄
• 分子量: 353.418
• InChiKey: GCJCKBKILAIZKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙醇 、 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid 在 硫酸 作用下， 生成 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid ethyl ester
  参考文献：
  名称：

  Amino esters

  摘要：

  公开号：

  US02681340A1
• 作为产物：
  描述：

  匹托非酮 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid
  参考文献：
  名称：

  HL 752: A potent and long-acting antispasmodic agent

  摘要：

  Ester analogues of methyl-2-(4-(2-piperidinoethoxy)benzoyl)-benzoate hydrochloride (pitofenone) (2) were prepared with an aim to find a more potent and metabolically stable antispasmodic compound. The compounds were evaluated for their in vitro and in vivo antispasmodic activity, and stability to in vitro enzymatic hydrolysis. Of the compounds synthesised, HL 752 (21) showed the most potent and long-lasting antispasmodic activity and was selected as the candidate for clinical development. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00067-9

文献信息

• Branched-chain alkyl esters of 2-(4-(2-piperidino ethoxy)benzoyl)benzoic acid, processes for their preparation and their use as spasmolytic agents
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0364941A1

  公开（公告）日：1990-04-25

  Compounds of the formula III in which R₄ - R₆ have the given meaning, have a spasmolytic activity.

  式 III 的化合物 其中 R₄ - R₆ 具有给定的含义，具有解痉活性。
• JPH02169585A
  申请人：——

  公开号：JPH02169585A

  公开（公告）日：1990-06-29
• US5821252A
  申请人：——

  公开号：US5821252A

  公开（公告）日：1998-10-13
• HL 752: A potent and long-acting antispasmodic agent
  作者：Swati Bal-Tembe、Dilip N. Bhedi、Anil K. Mishra、Ramanujam Rajagopalan、Anil V. Ghate、Palakodety Subbarayan、Narayan S. Punekar、Anjali V. Kulkarni

  DOI：10.1016/s0968-0896(97)00067-9

  日期：1997.7

  Ester analogues of methyl-2-(4-(2-piperidinoethoxy)benzoyl)-benzoate hydrochloride (pitofenone) (2) were prepared with an aim to find a more potent and metabolically stable antispasmodic compound. The compounds were evaluated for their in vitro and in vivo antispasmodic activity, and stability to in vitro enzymatic hydrolysis. Of the compounds synthesised, HL 752 (21) showed the most potent and long-lasting antispasmodic activity and was selected as the candidate for clinical development. (C) 1997 Elsevier Science Ltd.
• Amino esters
  申请人：HOECHST AG

  公开号：US02681340A1

  公开（公告）日：1954-06-15