7-methoxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-1H-naphthalen-2-one | 276881-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 7-methoxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-1H-naphthalen-2-one
• 英文别名: 7-methoxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydronaphthalen-2-one
• CAS: 276881-48-2
• 化学式: C₁₄H₁₈O₂S
• 分子量: 250.362
• InChiKey: ZVZJENIEKNKOTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methoxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-1H-naphthalen-2-one 在 吡啶 、 sodium tetrahydroborate 、 盐酸羟胺 、 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 (6R,7S)-7-Amino-8,8-dimethyl-6-methylsulfanyl-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：

  甲基硫代磺酸甲酯 、 7-甲氧基-1,1-二甲基-3,4-二氢萘-2(1H)-酮 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到7-methoxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-1H-naphthalen-2-one
  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

文献信息

• Compounds useful in pain management
  申请人：——

  公开号：US06498196B1

  公开（公告）日：2002-12-24

  The present invention relates to novel thio-aminotetralin compounds of the formula (I) wherein Z, X, R1, R2, R3, R4, R5, and R6 are defined herein. The compounds are useful in pain management.

  本发明涉及式(I)的新型硫氨基四氢萘化合物，其中Z，X，R1，R2，R3，R4，R5和R6在此定义。这些化合物在疼痛管理中有用。
• US6498196B1
  申请人：——

  公开号：US6498196B1

  公开（公告）日：2002-12-24
• Synthesis and structure–activity relationship of novel aminotetralin derivatives with high μ selective opioid affinity
  作者：Caroline Roy、Ticheao Li、Pavel Krasik、Marie-Josée Gilbert、Christine Pelletier、Diane Gagnon、Ed Robert、Julie Ducharme、Richard Storer、Jean-François Lavallée

  DOI：10.1016/s0960-894x(02)00644-3

  日期：2002.11

  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.