benzyl 5,6-dimethoxyindane-2-ylcarbamate | 1560653-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 5,6-dimethoxyindane-2-ylcarbamate
• CAS: 1560653-17-9
• 化学式: C₁₉H₂₁NO₄
• 分子量: 327.38
• InChiKey: IOGUFNIXCKZSKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  56.79
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  benzyl 5,6-dimethoxyindane-2-ylcarbamate 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 20.0h， 以95%的产率得到2-amino-5,6-dimethoxyindan hydrochloride
  参考文献：
  名称：

  Carbonic anhydrase inhibitory properties of novel sulfonamide derivatives of aminoindanes and aminotetralins

  摘要：

  Six sulfonamides derived from indanes and tetralines were synthesized. The human carbonic anhydrase isozymes hCA I and hCA II inhibition effects of the synthesized sulfonamides were determined. From these compounds, while N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl) methane sulfonamide showed the most potent inhibitory effect against hCA I (K-i = 46 +/- 5.4 mu M, r(2) = 0.978), N-(1,2,3,4-tetrahydronaphthalene-2-yl) methanesulfonamide was found to have the best inhibitory effect against hCA II (K-i = 94 +/- 7.6 mu M, r(2) = 0.982).

  DOI：

  10.3109/14756366.2012.750311
• 作为产物：
  描述：

  5,6-二甲氧基茚酮 在 三乙基硅烷 、 叠氮磷酸二苯酯 、 sodium hydride 、 三乙胺 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 苯 为溶剂， 反应 68.5h， 生成 benzyl 5,6-dimethoxyindane-2-ylcarbamate
  参考文献：
  名称：

  Carbonic anhydrase inhibitory properties of novel sulfonamide derivatives of aminoindanes and aminotetralins

  摘要：

  Six sulfonamides derived from indanes and tetralines were synthesized. The human carbonic anhydrase isozymes hCA I and hCA II inhibition effects of the synthesized sulfonamides were determined. From these compounds, while N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl) methane sulfonamide showed the most potent inhibitory effect against hCA I (K-i = 46 +/- 5.4 mu M, r(2) = 0.978), N-(1,2,3,4-tetrahydronaphthalene-2-yl) methanesulfonamide was found to have the best inhibitory effect against hCA II (K-i = 94 +/- 7.6 mu M, r(2) = 0.982).

  DOI：

  10.3109/14756366.2012.750311