1-piperidinecarboxylic acid, 4-[-4-(4-methoxyphenyl)sulfonylphenylmethyl],-1,1-dimethylethyl ester | 336182-20-8

• 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-piperidinecarboxylic acid, 4-[-4-(4-methoxyphenyl)sulfonylphenylmethyl],-1,1-dimethylethyl ester
• 英文别名: Tert-butyl 4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperidine-1-carboxylate
• CAS: 336182-20-8
• 化学式: C₂₄H₃₁NO₅S
• 分子量: 445.58
• InChiKey: WKFIFABEWYMOMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-piperidinecarboxylic acid, 4-[-4-(4-methoxyphenyl)sulfonylphenylmethyl],-1,1-dimethylethyl ester 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 4-[4-(4-methoxy-benzenesulfonyl)-benzyl]-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Muscarinic M2 antagonists: anthranilamide derivatives with exceptional selectivity and in vivo activity

  摘要：

  Anthranilamide analogues such as 23 are potent and highly selective muscarinic M2 antagonists that also show good oral bioavailability and in vivo activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.11.005
• 作为产物：
  描述：

  1-bromo-4-((4-methoxyphenyl)sulfonyl)benzene 、 N-Boc-4-亚甲基哌啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 9-borabicyclo[3.3.1]nonane dimer 作用下， 生成 1-piperidinecarboxylic acid, 4-[-4-(4-methoxyphenyl)sulfonylphenylmethyl],-1,1-dimethylethyl ester
  参考文献：
  名称：

  Muscarinic M2 antagonists: anthranilamide derivatives with exceptional selectivity and in vivo activity

  摘要：

  Anthranilamide analogues such as 23 are potent and highly selective muscarinic M2 antagonists that also show good oral bioavailability and in vivo activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.11.005

文献信息

• Concise Formation of 4-Benzyl Piperidines and Related Derivatives Using a Suzuki Protocol
  作者：Susan Vice、Tom Bara、Annette Bauer、C. Anderson Evans、Jennifer Ford、Hubert Josien、Stuart McCombie、Michael Miller、Dennis Nazareno、Anandan Palani、Jay Tagat

  DOI：10.1021/jo0007682

  日期：2001.4.1
• Muscarinic M2 antagonists: anthranilamide derivatives with exceptional selectivity and in vivo activity
  作者：John W Clader、William Billard、Herbert Binch、Lian-Yong Chen、Gordon Crosby、Ruth A Duffy、Jennifer Ford、Joseph A Kozlowski、Jean E Lachowicz、Shengjian Li、Charles Liu、Stuart W McCombie、Susan Vice、Gowei Zhou、William J Greenlee

  DOI：10.1016/j.bmc.2003.11.005

  日期：2004.1

  Anthranilamide analogues such as 23 are potent and highly selective muscarinic M2 antagonists that also show good oral bioavailability and in vivo activity. (C) 2003 Elsevier Ltd. All rights reserved.