acetic acid 1-bromo-3-oxo-indan-4-yl ester | 1213711-68-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: acetic acid 1-bromo-3-oxo-indan-4-yl ester
• 英文别名: (1-Bromo-3-oxo-1,2-dihydroinden-4-yl) acetate
• CAS: 1213711-68-2
• 化学式: C₁₁H₉BrO₃
• 分子量: 269.095
• InChiKey: YAZHJIKFAOZNLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,3,4-四氢-1-萘胺 、 acetic acid 1-bromo-3-oxo-indan-4-yl ester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以51%的产率得到acetic acid 3-oxo-1-(1,2,3,4-tetrahydro-naphthalen-1-ylamino)-indan-4-yl ester
  参考文献：
  名称：

  Synthesis and evaluation of dimeric 1,2,3,4-Tetrahydro-naphthalenylamine and Indan-1-ylamine derivatives with mast cell-stabilising and anti-allergic activity

  摘要：

  In a continuation of our studies into 4-Amino-3,4-dihydro-2H-naphthalen-1-ones as novel modulators of allergic and inflammatory phenomena, we have extended our work to include dimeric analogues. Of these derivatives, the most promising activity was seen with tertiary amine 58a, which exhibited potent mast cell-stabilising activity in vitro against a variety of stimuli and also in vivo against passive cutaneous anaphylaxis. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.09.020
• 作为产物：
  描述：

  3-oxo-2,3-dihydro-1H-inden-4-yl acetate 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以61%的产率得到acetic acid 1-bromo-3-oxo-indan-4-yl ester
  参考文献：
  名称：

  Synthesis and evaluation of dimeric 1,2,3,4-Tetrahydro-naphthalenylamine and Indan-1-ylamine derivatives with mast cell-stabilising and anti-allergic activity

  摘要：

  In a continuation of our studies into 4-Amino-3,4-dihydro-2H-naphthalen-1-ones as novel modulators of allergic and inflammatory phenomena, we have extended our work to include dimeric analogues. Of these derivatives, the most promising activity was seen with tertiary amine 58a, which exhibited potent mast cell-stabilising activity in vitro against a variety of stimuli and also in vivo against passive cutaneous anaphylaxis. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.09.020