(Z)-1-[5-C-(2,3-O-isopropylidene-1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2-bromo-3-(2-bromophenyl)prop-2-en-1-one | 1161838-42-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (Z)-1-[5-C-(2,3-O-isopropylidene-1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2-bromo-3-(2-bromophenyl)prop-2-en-1-one
• CAS: 1161838-42-1
• 化学式: C₂₁H₂₀Br₂O₅
• 分子量: 512.195
• InChiKey: WSYOVIUQDRCAER-JGHULWDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.9
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (Z)-1-[5-C-(2,3-O-isopropylidene-1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2-bromo-3-(2-bromophenyl)prop-2-en-1-one 在 水 、 溶剂黄146 作用下， 反应 2.0h， 以76%的产率得到(Z)-1-[5-C-(1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2-bromo-3-(2-bromophenyl)prop-2-en-1-one
  参考文献：
  名称：

  C-Furyl glycosides, I: Synthesis and antimicrobial evaluation of C-furyl glycosides and chalcones derived therefrom

  摘要：

  New C-furyl glycosides were synthesized in order to increase the number of compounds screened for antimicrobial activity. The antimicrobial activity showed that the bromo as well as the nitro derivatives were the most active compounds.

  DOI：

  10.1007/s00706-008-0941-1
• 作为产物：
  描述：

  1-[5-C-(2,3-O-isopropylidene-1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2,3-dibromo-3-(2-bromophenyl)propan-1-one 在 三乙胺 作用下， 以 苯 为溶剂， 反应 24.0h， 以82%的产率得到(Z)-1-[5-C-(2,3-O-isopropylidene-1,4-anhydro-β-D-erythrofuranosyl)-2-methylfuran]-2-bromo-3-(2-bromophenyl)prop-2-en-1-one
  参考文献：
  名称：

  C-Furyl glycosides, I: Synthesis and antimicrobial evaluation of C-furyl glycosides and chalcones derived therefrom

  摘要：

  New C-furyl glycosides were synthesized in order to increase the number of compounds screened for antimicrobial activity. The antimicrobial activity showed that the bromo as well as the nitro derivatives were the most active compounds.

  DOI：

  10.1007/s00706-008-0941-1