1,3,5-tribromo-2,4,6-tris(2',2'-bis(methoxycarbonyl)pent-4'-enyl)benzene | 479213-66-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3,5-tribromo-2,4,6-tris(2',2'-bis(methoxycarbonyl)pent-4'-enyl)benzene
• 英文别名: Dimethyl 2-[[3,5-bis[2,2-bis(methoxycarbonyl)pent-4-enyl]-2,4,6-tribromophenyl]methyl]-2-prop-2-enylpropanedioate
• CAS: 479213-66-6
• 化学式: C₃₃H₃₉Br₃O₁₂
• 分子量: 867.377
• InChiKey: NABBXEJDDDWFAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  48
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  158
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,3,5-tribromo-2,4,6-tris(2',2'-bis(methoxycarbonyl)pent-4'-enyl)benzene 在 palladium diacetate 、 caesium carbonate 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 35.0h， 以89%的产率得到4,8,12-Trimethylene-4,5,8,9,11,12-hexahydro-1H,3H,7H-triphenylene-2,2,6,6,10,10-hexacarboxylic acid hexamethyl ester
  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 24.0h， 生成 1,3,5-tribromo-2,4,6-tris(2',2'-bis(methoxycarbonyl)pent-4'-enyl)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.