1-(N,N-dimethylcarboxamido)pyrene | 97325-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-(N,N-dimethylcarboxamido)pyrene
• 英文别名: N,N-dimethyl-1-pyrenecarboxamide；N,N-dimethylpyrene-1-carboxamide
• CAS: 97325-54-7
• 化学式: C₁₉H₁₅NO
• 分子量: 273.334
• InChiKey: RFRINRJWZQIIJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(N,N-dimethylcarboxamido)pyrene 在 diborane(6) 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以57%的产率得到N,N-dimethyl-1-(pyren-1-yl)methanamine
  参考文献：
  名称：

  Demerseman, Pierre; Tric, Bernadette; Strapelias, Helene, Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1337 - 1339

  摘要：

  DOI：
• 作为产物：
  描述：

  1-芘甲酸 在 氯化亚砜 作用下， 生成 1-(N,N-dimethylcarboxamido)pyrene
  参考文献：
  名称：

  N,N-二甲基-1-芘甲酰胺在CDCL3溶液中的内旋和旋转扩散分析

  摘要：

  N,N-二甲基-1-芘甲酰胺在 CDCl3 溶液中的平衡构象已经推导出来，所有单键周围的内旋转速率以及整体重新取向已使用动态 NMR 和 1H、13C 和 14N 弛豫测量进行表征.

  DOI：

  10.1002/mrc.1260230303

文献信息

• DEMERSEMAN, P.;TRIC, B.;STRAPELIAS, H.;ROYER, R., J. HETEROCYCL. CHEM., 1985, 22, N 5, 1337-1339
  作者：DEMERSEMAN, P.、TRIC, B.、STRAPELIAS, H.、ROYER, R.

  DOI：——

  日期：——
• Photo‐Excited Nickel‐Catalyzed Silyl‐Radical‐Mediated Direct Activation of Carbamoyl Chlorides To Access (Hetero)aryl Carbamides**
  作者：Sudip Maiti、Sayan Roy、Pintu Ghosh、Aashi Kasera、Debabrata Maiti

  DOI：10.1002/anie.202207472

  日期：2022.11.2

  AbstractAmide bonds connect the amino acids in proteins and exist as a prevalent structural motif in biomolecules. Herein, we have exploited the concept of cross‐electrophile coupling by merging the photo‐redox and transition‐metal catalysis to construct carbamides from superabundant (hetero)aryl halides along with commercially feasible carbamoyl chlorides. The success of this method relies on the prior formation of NiII‐aryl halide intermediates, which involves in a photoexcited Ni‐halide homolysis event by energy transfer from aryl bromide and single‐electron transfer from aryl chloride to assist generation of the vital carbamoyl radical. The breadth of application of this technique is demonstrated both in inter‐ as well as intramolecular routes for the synthesis of a plethora of (hetero)aryl carbamides with diverse functionalities, and biologically important benzolactams.
• Demerseman, Pierre; Tric, Bernadette; Strapelias, Helene, Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1337 - 1339
  作者：Demerseman, Pierre、Tric, Bernadette、Strapelias, Helene、Royer, Rene

  DOI：——

  日期：——
• Analysis of internal rotations and rotational diffusion ofN,N-dimethyl-1-pyrenecarboxamide in CDCL3 solution
  作者：A. Gryff-Keller、L. Poppe

  DOI：10.1002/mrc.1260230303

  日期：1985.3

  The equilibrium conformation of N,N‐dimethyl‐1‐pyrenecarboxamide in CDCl3 solution has been deduced and the internal rotation rates around all single bonds, as well as the overall reorientation, have been characterized using dynamic NMR and 1H, 13C and 14N relaxation measurements.

  N,N-二甲基-1-芘甲酰胺在 CDCl3 溶液中的平衡构象已经推导出来，所有单键周围的内旋转速率以及整体重新取向已使用动态 NMR 和 1H、13C 和 14N 弛豫测量进行表征.