| 364364-93-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 364364-93-2
• 化学式: C₁₅H₂₁NO₂S
• 分子量: 279.403
• InChiKey: ISNULKKZVXEGSK-UHFFFAOYSA-N

物化性质

• 沸点：
  404.3±48.0 °C(Predicted)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-溴丙烯 、 在 palladium dichloride 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 84.0h， 以12%的产率得到4-allyl-2-butyl-1-(p-toluenesulfonyl)-2,5-dihydro-1H-pyrrole
  参考文献：
  名称：

  Studies on Pd(II)-Catalyzed Coupling−Cyclization of α- or β-Amino Allenes with Allylic Halides

  摘要：

  The palladium-catalyzed coupling-cyclization of alpha- or beta-amino allenes with allylic halides leading to 3-allylic 2,5-dihydropyrroles and 1,2,3,6-tetrahydropyridines, respectively, was studied. The starting materials are easily available. The skeletons of both two classes of products were established by the X-ray diffraction studies of 7i and 9b. Through the study of the reaction of 2b with 3-chloro-1-butene, 1-chloro-2-butene, and pi-allyl palladium species and the stereochemical outcome of the coupling cyclization of (S)-2m and (R)-2n, it is believed that the current transformation most likely proceeded via a Pd(II)-catalyzed pathway, although a Pd(0) pathway cannot be completely excluded.

  DOI：

  10.1021/jo0342469
• 作为产物：
  描述：

  辛-1,2-二烯-4-醇 在 一水合肼 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Studies on Pd(II)-Catalyzed Coupling−Cyclization of α- or β-Amino Allenes with Allylic Halides

  摘要：

  The palladium-catalyzed coupling-cyclization of alpha- or beta-amino allenes with allylic halides leading to 3-allylic 2,5-dihydropyrroles and 1,2,3,6-tetrahydropyridines, respectively, was studied. The starting materials are easily available. The skeletons of both two classes of products were established by the X-ray diffraction studies of 7i and 9b. Through the study of the reaction of 2b with 3-chloro-1-butene, 1-chloro-2-butene, and pi-allyl palladium species and the stereochemical outcome of the coupling cyclization of (S)-2m and (R)-2n, it is believed that the current transformation most likely proceeded via a Pd(II)-catalyzed pathway, although a Pd(0) pathway cannot be completely excluded.

  DOI：

  10.1021/jo0342469

文献信息

• Ru-Catalyzed Cyclocarbonylation of α- and β-Allenic Sulfonamides:  Synthesis of γ- and δ-Unsaturated Lactams
  作者：Suk-Ku Kang、Kwang-Jin Kim、Chan-Mo Yu、Jeong-Wook Hwang、Young-Kyu Do

  DOI：10.1021/ol016281c

  日期：2001.9.1

  [GRAPHICS]The Ru-catalyzed cyclocarbonylation of alpha- or beta -allenic sulfonamides in the presence of Ru-3(CO)(12) (1 mol %) and Et3N (1.5 equiv) under CO atmosphere (20 atm) in dioxane at 100 degreesC for 9 h gave heterocyclic gamma- and delta -unsaturated lactams in good yields.