5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde | 1040022-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde
• 英文别名: 5-bromo-2-(2-methylprop-2-enoxy)benzaldehyde
• CAS: 1040022-26-1
• 化学式: C₁₁H₁₁BrO₂
• mdl: MFCD11174609
• 分子量: 255.111
• InChiKey: NMGHCNHYZIHUKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 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-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde 、 4-硫代噻唑烷-2-酮 在 三乙胺 作用下， 以 溶剂黄146 为溶剂， 反应 12.0h， 以69%的产率得到(5aRS,11bRS)-10-bromo-3,5a,6,11b-tetrahydro-5a-methyl-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
  参考文献：
  名称：

  A new domino-Knoevenagel–hetero-Diels–Alder reaction

  摘要：

  Various novel 3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-ones were synthesized in 60-80% yields via domi no-Knoevenagel-hetero-Diels-Alder reactions of 4-thioxo-1,3-thiazolidin-2-one with 3,7-dimethyl-6-octenal, 2-allyloxybenzaldehydes and 2-formylphenyt (E)-3-aryl-2-propenoates with base catalysis. The possibility of stereo- and regioselective cycloaddition was investigated. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.062
• 作为产物：
  描述：

  5-溴水杨醛 、 3-氯-2-甲基丙烯 生成 5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde
  参考文献：
  名称：

  A new domino-Knoevenagel–hetero-Diels–Alder reaction

  摘要：

  Various novel 3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-ones were synthesized in 60-80% yields via domi no-Knoevenagel-hetero-Diels-Alder reactions of 4-thioxo-1,3-thiazolidin-2-one with 3,7-dimethyl-6-octenal, 2-allyloxybenzaldehydes and 2-formylphenyt (E)-3-aryl-2-propenoates with base catalysis. The possibility of stereo- and regioselective cycloaddition was investigated. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.062

文献信息

• A new domino-Knoevenagel–hetero-Diels–Alder reaction
  作者：Vasyl S. Matiychuk、Roman B. Lesyk、Mykola D. Obushak、Andrzej Gzella、Dmytro V. Atamanyuk、Yuri V. Ostapiuk、Anna P. Kryshchyshyn

  DOI：10.1016/j.tetlet.2008.05.062

  日期：2008.7

  Various novel 3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-ones were synthesized in 60-80% yields via domi no-Knoevenagel-hetero-Diels-Alder reactions of 4-thioxo-1,3-thiazolidin-2-one with 3,7-dimethyl-6-octenal, 2-allyloxybenzaldehydes and 2-formylphenyt (E)-3-aryl-2-propenoates with base catalysis. The possibility of stereo- and regioselective cycloaddition was investigated. (c) 2008 Elsevier Ltd. All rights reserved.