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| 1450999-88-8

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1450999-88-8
化学式
C31H31NO4
mdl
——
分子量
481.591
InChiKey
BCHKKZSAVVSTPM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.73
  • 重原子数:
    36.0
  • 可旋转键数:
    8.0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.23
  • 拓扑面积:
    55.84
  • 氢给体数:
    0.0
  • 氢受体数:
    5.0

反应信息

  • 作为产物:
    描述:
    1,1,3-三苯基-2-丙炔醇 、 在 三氟化硼乙醚 作用下, 以 二氯甲烷 为溶剂, 反应 1.0h, 生成
    参考文献:
    名称:
    Lewis acid-promoted cascade reaction of primary amine, 2-butynedioate, and propargylic alcohol: a convenient approach to 1,2-dihydropyridines and 1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-diones
    摘要:
    1,2-Dihydropyridine-5,6-dicarboxylates were efficiently constructed through a cascade reaction of primary amine, 2-butynedioate and propargylic alcohol in the presence of Lewis acid under mild conditions. As exceptional, 1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-diones were approached when the primary amine was methylamine. Possible mechanism for the formation of 1,2-dihydropyridine skeleton is proposed. The process involves 1,3,4-pentatrien-1-amine as a key intermediate that formed in situ by trapping allenic carbocations with enamines. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.tet.2013.07.076
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文献信息

  • One-pot esterification-click (CuAAC) and esterification–acetylene coupling (Glaser/Eglinton) for functionalization of Wang polystyrene resin
    作者:Sagi Eppel、Moshe Portnoy
    DOI:10.1016/j.tetlet.2013.07.034
    日期:2013.9
    We report three new sets of one-pot reactions for functionalization of Wang polystyrene resin and its derivatives. We first show that it is possible to combine esterification and CuAAC (Copper-Catalyzed Alkyne-Azide Cycloaddition) in a one-pot reaction with a very high yield. We also demonstrate for the first time that it is possible to combine esterification with either Glaser or Eglinton acetylene-couplings in a one-pot reaction. Finally, we show that the esterification, CuAAC, and Glaser-coupling reactions are all compatible with each other, and it is possible to run in parallel esterification/CuAAC and esterification/Glaser coupling in a single vessel. All reactions are performed at room temperature while the only separation method required is filtering and washing the resin. (C) 2013 Elsevier Ltd. All rights reserved.
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