1,3,5-tribromo-2,4,6-tris((1'-methyl-2'-propenyl)methyl)benzene | 479213-69-9

• 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: 1,3,5-tribromo-2,4,6-tris((1'-methyl-2'-propenyl)methyl)benzene
• 英文别名: 1,3,5-Tribromo-2,4,6-tris(but-3-en-2-yloxymethyl)benzene
• CAS: 479213-69-9
• 化学式: C₂₁H₂₇Br₃O₃
• 分子量: 567.156
• InChiKey: BWWCIJOQKXXQFI-UHFFFAOYSA-N

物化性质

• 熔点：
  46 °C(Solv: hexane (110-54-3))
• 沸点：
  510.6±45.0 °C(Predicted)
• 密度：
  1.452±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-tribromo-2,4,6-tris((1'-methyl-2'-propenyl)methyl)benzene 在 palladium diacetate potassium carbonate 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 54.0h， 生成 1,5,9-trimethylene-2,6,10-trimethyl-3,7,11-trioxa-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene 、 3,7,11-trimethyl-4,8,12-trimethylene-4,7,8,9,11,12-hexahydro-1H,3H,5H-2,6,10-trioxa-triphenylene
  参考文献：
  名称：

  Intramolecular Triple Heck Reaction. An Efficient Entry to Fused Tetracycles with a Benzene Core

  摘要：

  Twelve examples of 1,3,5-tribromo-2,4,6-trienylbenzenes were easily synthesized by alkylation, etherification, and amination methods. Under conditions A and B, a series of tetracycles with a benzene core, i.e., fused 5,6,6-, 6,6,6-, and 6,6,7-tetracyclic compounds, were prepared efficiently via this intramolecular triple Heck reaction protocol.

  DOI：

  10.1021/jo0258094
• 作为产物：
  描述：

  2,4,6-三溴-1,3,5-三甲基苯 在 N-溴代丁二酰亚胺(NBS) 、 sodium hydride 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 9.0h， 生成 1,3,5-tribromo-2,4,6-tris((1'-methyl-2'-propenyl)methyl)benzene
  参考文献：
  名称：

  Intramolecular Triple Heck Reaction. An Efficient Entry to Fused Tetracycles with a Benzene Core

  摘要：

  Twelve examples of 1,3,5-tribromo-2,4,6-trienylbenzenes were easily synthesized by alkylation, etherification, and amination methods. Under conditions A and B, a series of tetracycles with a benzene core, i.e., fused 5,6,6-, 6,6,6-, and 6,6,7-tetracyclic compounds, were prepared efficiently via this intramolecular triple Heck reaction protocol.

  DOI：

  10.1021/jo0258094

文献信息

• Intramolecular Triple Heck Reaction. An Efficient Entry to Fused Tetracycles with a Benzene Core
  作者：Shengming Ma、Bukuo Ni

  DOI：10.1021/jo0258094

  日期：2002.11.1

  Twelve examples of 1,3,5-tribromo-2,4,6-trienylbenzenes were easily synthesized by alkylation, etherification, and amination methods. Under conditions A and B, a series of tetracycles with a benzene core, i.e., fused 5,6,6-, 6,6,6-, and 6,6,7-tetracyclic compounds, were prepared efficiently via this intramolecular triple Heck reaction protocol.