5-Butyl-4-hex-1-ynyl-6-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole | 1507381-27-2

• 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: 5-Butyl-4-hex-1-ynyl-6-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
• CAS: 1507381-27-2
• 化学式: C₂₆H₃₃NO₃S
• 分子量: 439.619
• InChiKey: KUTKWWLYSRZMJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲醇 、 4-methyl-N,N-di(nona-2,4-diyn-1-yl)benzenesulfonamide 反应 6.0h， 生成 5-Butyl-4-hex-1-ynyl-6-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole 、
  参考文献：
  名称：

  Regioselectivity in the Nucleophile Trapping of Arynes: The Electronic and Steric Effects of Nucleophiles and Substituents

  摘要：

  The regioselectivity in nucleophile trapping is investigated with arynes generated directly from bis-1,3-diynes. The regioselectivity is profoundly influenced by not only the nature of nucleophiles but also the substituents on the arynes, which is the consequence of both the unfavorable steric interaction between the incoming nucleophile and the nearby substituent and the inherent electronic bias induced by different substituents on the arynes.

  DOI：

  10.1021/ol403237z