3-Ethyl-7-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one oxime | 525566-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3-Ethyl-7-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one oxime
• CAS: 525566-66-9
• 化学式: C₁₅H₂₁NO₂
• 分子量: 247.337
• InChiKey: QCPXHXAXWJKAPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  41.82
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-Ethyl-7-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one oxime 在 sodium tetrahydroborate 、 三溴化硼 、 四氯化钛 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 (6S,7R)-7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol
  参考文献：
  名称：

  Synthesis and structure–activity relationship of novel aminotetralin derivatives with high μ selective opioid affinity

  摘要：

  Several novel racemic aminotetralin derivatives have been prepared using a stereoselective aziridine ring opening reactions and were evaluated for their V-opioid receptor binding affinity. Selectivity index towards other opioid receptors and antinociceptive activity in mice have been evaluated for the most potent derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00644-3
• 作为产物：
  描述：

  2-Ethyl-6-methoxy-4,4-dimethyl-3-oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester 在 吡啶 、 氢氧化钾 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 生成 3-Ethyl-7-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one oxime
  参考文献：
  名称：

  Synthesis and structure–activity relationship of novel aminotetralin derivatives with high μ selective opioid affinity

  摘要：

  Several novel racemic aminotetralin derivatives have been prepared using a stereoselective aziridine ring opening reactions and were evaluated for their V-opioid receptor binding affinity. Selectivity index towards other opioid receptors and antinociceptive activity in mice have been evaluated for the most potent derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00644-3