2-bromo-6-(4-ethylbenzoyl)benzyl acetate | 1194354-18-1

• 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: 2-bromo-6-(4-ethylbenzoyl)benzyl acetate
• CAS: 1194354-18-1
• 化学式: C₁₈H₁₇BrO₃
• 分子量: 361.235
• InChiKey: GAKPEBUGLSNGDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-bromo-6-(4-ethylbenzoyl)benzyl acetate 在 三乙基硅烷 、 三氟化硼乙醚 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 2-bromo-6-(4-ethylbenzyl)benzyl acetate
  参考文献：
  名称：

  O-Spiro C-aryl glucosides as novel sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors

  摘要：

  Two series of O-spiro C-aryl glucosides were synthesized and tested for inhibition of hSGLT1 and hSGLT2. 60-O-Spiro C-aryl glucosides exhibited potent in vitro hSGLT2 inhibitory activity but 20-O-spiro C-aryl glucosides showed no in vitro hSGLT2 inhibitory activity at a screening concentration of 1 mu M. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.030
• 作为产物：
  描述：

  (3-bromo-2-(bromomethyl)phenyl)(4-ethylphenyl)methanone 、 sodium acetate 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-bromo-6-(4-ethylbenzoyl)benzyl acetate
  参考文献：
  名称：

  O-Spiro C-aryl glucosides as novel sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors

  摘要：

  Two series of O-spiro C-aryl glucosides were synthesized and tested for inhibition of hSGLT1 and hSGLT2. 60-O-Spiro C-aryl glucosides exhibited potent in vitro hSGLT2 inhibitory activity but 20-O-spiro C-aryl glucosides showed no in vitro hSGLT2 inhibitory activity at a screening concentration of 1 mu M. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.030