[1,1-Dimethyl-3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-propyl]-carbamic acid tert-butyl ester | 187107-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: [1,1-Dimethyl-3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-propyl]-carbamic acid tert-butyl ester
• CAS: 187107-77-3
• 化学式: C₂₀H₃₁N₃O₃
• 分子量: 361.484
• InChiKey: IVCPTJRZJXRDCM-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  79.46
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [1,1-Dimethyl-3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-propyl]-carbamic acid tert-butyl ester 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Benzolactam growth hormone secretagogues: Replacement of the C-3 amide bond in L-692,429

  摘要：

  The synthesis and structure-activity relationships of various C-3 amide bond modifications in the novel nonpeptidyl growth hormone secretagogue L-692,429 are described. Several C-3 amide surrogates were prepared and the urea moiety was found to exhibit growth hormone releasing activity similar to that observed with L-692,429. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00566-5
• 作为产物：
  描述：

  (R)-3-氨基-2,3,4,5-四氢-1H-苯并氮杂-2-酮 在 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 [1,1-Dimethyl-3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-propyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Benzolactam growth hormone secretagogues: Replacement of the C-3 amide bond in L-692,429

  摘要：

  The synthesis and structure-activity relationships of various C-3 amide bond modifications in the novel nonpeptidyl growth hormone secretagogue L-692,429 are described. Several C-3 amide surrogates were prepared and the urea moiety was found to exhibit growth hormone releasing activity similar to that observed with L-692,429. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00566-5