1-(((7,7-dimethyl-2-oxobicyclo<2.2.1>heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine | 148927-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(((7,7-dimethyl-2-oxobicyclo<2.2.1>heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine
• 英文别名: 1-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1(S)-yl)methyl]sulfonyl}-4-(2-methylphenyl)piperazine；(1S,4R)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
• CAS: 148927-39-3
• 化学式: C₂₁H₃₀N₂O₃S
• 分子量: 390.547
• InChiKey: TZHZUCUJVSBWEW-DYESRHJHSA-N

物化性质

• 沸点：
  541.1±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(((7,7-dimethyl-2-oxobicyclo<2.2.1>heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine 在 镍 吡啶 、 盐酸羟胺 、 氢气 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 1-(((7,7-dimethyl-2(S)-aminobicyclo<2.2.1>heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine
  参考文献：
  名称：

  Synthesis and biological activities of camphor-based non-peptide growth hormone secretagogues

  摘要：

  The synthesis and growth hormone (GH) releasing activities of a novel series of camphor-based non-peptide GH secretagogues is presented. Use of the (R)-nipecotic acid amino side-chain and N-terminal derivatization of it with an (R)-(2-hydroxy)propyl group provided a potent secretagogue 18 (EC(50) = 90 nM). An o-tolyl piperazine was identified as a good replacement for the spiroindanyl piperidine. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00213-2
• 作为产物：
  描述：

  右旋樟脑-10-磺酰氯 、 1-邻甲苯基哌嗪盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 以86%的产率得到1-(((7,7-dimethyl-2-oxobicyclo<2.2.1>heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine
  参考文献：
  名称：

  Williams; Anderson; Ball, Journal of Medicinal Chemistry, 1994, vol. 37, # 5, p. 565 - 571

  摘要：

  DOI：

文献信息

• Williams; Anderson; Ball, Journal of Medicinal Chemistry, 1994, vol. 37, # 5, p. 565 - 571
  作者：Williams、Anderson、Ball、Bock、Carroll、Chiu -、Clineschmidt、Culberson、Erb、Evans、Fitzpatrick、Freidinger、Kaufman、Lundell、Murphy、Pawluczyk、Perlow、Pettibone、Pitzenberger、et al.

  DOI：——

  日期：——
• Synthesis and biological activities of camphor-based non-peptide growth hormone secretagogues
  作者：Ravi P. Nargund、Khaled H. Barakat、Kang Cheng、Wanda W.-S. Chan、Bridget R. Butler、Roy G. Smith、Arthur A. Patchett

  DOI：10.1016/0960-894x(96)00213-2

  日期：1996.6

  The synthesis and growth hormone (GH) releasing activities of a novel series of camphor-based non-peptide GH secretagogues is presented. Use of the (R)-nipecotic acid amino side-chain and N-terminal derivatization of it with an (R)-(2-hydroxy)propyl group provided a potent secretagogue 18 (EC(50) = 90 nM). An o-tolyl piperazine was identified as a good replacement for the spiroindanyl piperidine. Copyright (C) 1996 Elsevier Science Ltd