2,5-di-t-butyltoluene | 578720-57-7

• 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: 2,5-di-t-butyltoluene
• 英文别名: Benzene, 1,4-bis(1,1-dimethylethyl)-2-methyl-；1,4-ditert-butyl-2-methylbenzene
• CAS: 578720-57-7
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: GRNRDBVZCUJXDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 、 对甲苯磺酸烯丙酯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三(邻甲基苯基)磷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.5h， 以34%的产率得到3,5-二叔丁基甲苯
  参考文献：
  名称：

  Palladium-Catalyzed Benzannulation from Alkynes and Allylic Compounds

  摘要：

  Various alkynes reacted with allyl tosylates in the presence of palladium catalysts, giving polysubstituted benzenes with good to high regioselectivity. Pentasubstituted and trisubstituted benzenes were readily prepared by reaction of internal alkynes and terminal alkynes, respectively. The combination of allyl alcohols and p-toluenesulfonic anhydride could be utilized in place of isolated allyl tosylates. The cyclization of diynes with allyl tosylate afforded bicyclic compounds containing an aromatic ring.

  DOI：

  10.1021/jo026857r

文献信息

• Palladium-Catalyzed Benzannulation from Alkynes and Allylic Compounds
  作者：Naofumi Tsukada、Shuichi Sugawara、Keiichiro Nakaoka、Yoshio Inoue

  DOI：10.1021/jo026857r

  日期：2003.7.1

  Various alkynes reacted with allyl tosylates in the presence of palladium catalysts, giving polysubstituted benzenes with good to high regioselectivity. Pentasubstituted and trisubstituted benzenes were readily prepared by reaction of internal alkynes and terminal alkynes, respectively. The combination of allyl alcohols and p-toluenesulfonic anhydride could be utilized in place of isolated allyl tosylates. The cyclization of diynes with allyl tosylate afforded bicyclic compounds containing an aromatic ring.