(S)-3-叔丁基哌嗪-1-羧酸叔丁酯盐酸盐 | 1007112-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: (S)-3-叔丁基哌嗪-1-羧酸叔丁酯盐酸盐
• 英文名称: (3S)-3-tert-butylpiperazine-1-carboxylic acid tert-butyl ester
• 英文别名: (S)-4-tert-butyloxycarbonyl-2-tert-butylpiperazine；(S)-1-Boc-3-tert-butyl-piperazine；tert-butyl (3S)-3-tert-butylpiperazine-1-carboxylate
• CAS: 1007112-88-0
• 化学式: C₁₃H₂₆N₂O₂
• 分子量: 242.362
• InChiKey: LCTYDUNZQLEACC-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-3-叔丁基哌嗪-1-羧酸叔丁酯盐酸盐 、 sodium;hydride 、 2-氯苯并[d]噁唑-4-羧酸甲酯 、 在 甲醇 、 silica gel 、 乙酸乙酯 、 hexanes 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.75h， 以to afford (S)-methyl 2-(4-tert-butyloxycarbonyl-2-tert-butyl-piperazin-1-yl)benzoxazole-4-carboxylate (0.42 g, 39%) as a yellow solid的产率得到(S)-methyl 2-(4-tert-butyloxycarbonyl-2-tert-butyl-piperazin-1-yl)benzoxazole-4-carboxylate
  参考文献：
  名称：

  2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS

  摘要：

  公式I、II和III的化合物被揭示为5-HT3抑制剂。这些化合物在治疗CINV、IBS-D和其他疾病和病况方面具有用途。

  公开号：

  US20080255114A1
• 作为产物：
  描述：

  tert-butyl (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carboxylate 在 1-辛硫醇 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以236 mg的产率得到(S)-3-叔丁基哌嗪-1-羧酸叔丁酯盐酸盐
  参考文献：
  名称：

  Expedite Protocol for Construction of Chiral Regioselectively N-Protected Monosubstituted Piperazine, 1,4-Diazepane, and 1,4-Diazocane Building Blocks

  摘要：

  This paper describes the first study of solution-phase synthesis of chiral monosubstituted piperazine building blocks from nosylamide-activated aziridines. The protocol, involving aminolysis of the starting aziridines with omega-amino alcohols and subsequent Fukuyama-Mitsunobu cyclization, offers the advantage of mild conditions as well as short reaction times, and it leads to optically Pure N-Boc- or N-Ns-protected piperazines. This four-step sequence, requiring only a single final chromatographic purification, was extended to include novel diazepane and diazocane derivatives.

  DOI：

  10.1021/jo900441s

文献信息

• 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS
  申请人：Yang Zhicai

  公开号：US20080255114A1

  公开（公告）日：2008-10-16

  Compounds of formulae I, II and III: are disclosed as 5-HT3 inhibitors. The compounds are useful in treating CINV, IBS-D and other diseases and conditions.

  化学式I、II和III的化合物被披露为5-HT3受体拮抗剂。这些化合物在治疗化疗诱发恶心呕吐综合征（CINV）、腹泻型肠易激综合征（IBS-D）和其他疾病和症状中很有用。
• US7863271B2
  申请人：——

  公开号：US7863271B2

  公开（公告）日：2011-01-04
• Expedite Protocol for Construction of Chiral Regioselectively N-Protected Monosubstituted Piperazine, 1,4-Diazepane, and 1,4-Diazocane Building Blocks
  作者：François Crestey、Matthias Witt、Jerzy W. Jaroszewski、Henrik Franzyk

  DOI：10.1021/jo900441s

  日期：2009.8.7

  This paper describes the first study of solution-phase synthesis of chiral monosubstituted piperazine building blocks from nosylamide-activated aziridines. The protocol, involving aminolysis of the starting aziridines with omega-amino alcohols and subsequent Fukuyama-Mitsunobu cyclization, offers the advantage of mild conditions as well as short reaction times, and it leads to optically Pure N-Boc- or N-Ns-protected piperazines. This four-step sequence, requiring only a single final chromatographic purification, was extended to include novel diazepane and diazocane derivatives.
• 2-aminobenzoxazole carboxamides as 5HT3 modulators
  申请人：Albany Molecular Research, Inc.

  公开号：US07863271B2

  公开（公告）日：2011-01-04

  Compounds of formulae I, II and III: are disclosed as 5-HT3 inhibitors. The compounds are useful in treating CINV, IBS-D and other diseases and conditions.

  公式I、II和III的化合物被披露为5-HT3抑制剂。这些化合物在治疗化疗诱导恶心和呕吐、腹泻型肠易激综合征和其他疾病和病况方面有用。