5-methoxy-1,1-dimethyl-2-tetralone | 4003-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-methoxy-1,1-dimethyl-2-tetralone
• 英文别名: 5-Methoxy-1,1-dimethyl-2-tetralon；1.1-Dimethyl-5-methoxy-tetralon-(2)；5-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one；5-Methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalin-2-on；5-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one；5-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
• CAS: 4003-87-6
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: VDGWMKBFTCXGMK-UHFFFAOYSA-N

物化性质

• 熔点：
  83-85 °C
• 沸点：
  105-110 °C(Press: 0.2 Torr)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-methoxy-1,1-dimethyl-2-tetralone 生成 1,1-二甲基-5-四氢萘酚
  参考文献：
  名称：

  Alkylation of Phenol with a Homoallylic Halide

  摘要：

  DOI：

  10.1021/ja00903a047
• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium isopropylate 、 异丙醇 作用下， 生成 5-methoxy-1,1-dimethyl-2-tetralone
  参考文献：
  名称：

  Effects of Surface Application of MSW Compost On Cotton Production – Soil Properties, Plant Responses, And Nematode Management

  摘要：

  DOI：

  10.1080/1065657x.2002.10702089

文献信息

• C1-Methylated 5-hydroxy-2-(dipropylamino)tetralins: central dopamine-receptor stimulating activity
  作者：Uli Hacksell、Anette M. Johansson、Lars Erik Arvidsson、J. Lars G. Nilsson、Stephan Hjorth、Arvid Carlsson、Hakan Wikstroem、Domingo Sanchez、Per Lindberg

  DOI：10.1021/jm00374a012

  日期：1984.8

  C1-Methylated derivatives of the potent dopaminergic agonist 5-hydroxy-2-(di-n-propylamino)tetralin (6) have been synthesized and tested for central dopamine (DA) receptor stimulating activity, by using biochemical and behavioral tests in rats. Both cis- and trans-5-hydroxy-1-methyl-2-(di-n-propylamino) tetralin (4 and 3) may be classified as central DA-receptor agonists, albeit of lower potency than 6. The results obtained indicate that both 4 and 3 display DA-autoreceptor stimulation capacity. However, only one of the isomers, trans-3, is able to elicit clear-cut postsynaptic DA receptor agonist actions at larger doses. 5-Hydroxy-1,1-dimethyl-2-(n-propylamino) tetralin (5) was found to be inactive.
• Derivatives of 1- and 2-Tetralones
  作者：George deStevens、Barbara Smolinsky

  DOI：10.1021/jm00324a038

  日期：1966.11
• <b>Alkylation of Phenol with a Homoallylic Halide</b>
  作者：Harold. Hart、James L. Corbin、Charles R. Wagner、Ching-Yong. Wu

  DOI：10.1021/ja00903a047

  日期：1963.10
• Effects of Surface Application of MSW Compost On Cotton Production – Soil Properties, Plant Responses, And Nematode Management
  作者：A. Khalilian、M. J. Sullivan、J.D. Mueller、A. Shiralipour、F.J. Wolak、R.E. Williamson、R.M. Lippert

  DOI：10.1080/1065657x.2002.10702089

  日期：2002.6