F0719-0145 | 55883-24-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: F0719-0145
• 英文别名: 1-(4-chloro-phenoxy)-3-piperidino-propan-2-ol；1-(4-Chlor-phenoxy)-3-piperidino-propan-2-ol；1-(1-piperidinyl)-3-(4-chlorophenoxy)-2-propanol；1-(4-Chlorophenoxy)-3-(piperidin-1-yl)propan-2-ol；1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol
• CAS: 55883-24-4
• 化学式: C₁₄H₂₀ClNO₂
• mdl: MFCD01038048
• 分子量: 269.771
• InChiKey: ZGMJRMLXHLGNFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 4-氯苯基缩水甘油醚 在 9-methoxy-1-ethoxyphenalenium tetrafluoroborate 作用下， 以 neat (no solvent) 为溶剂， 反应 11.0h， 以90%的产率得到F0719-0145
  参考文献：
  名称：

  Phenalenyl in a Different Role: Catalytic Activation through the Nonbonding Molecular Orbital

  摘要：

  We have demonstrated that the nonbonding molecular orbital (NBMO) of the phenalenyl (PLY) cation can be used as a Lewis acid catalyst for different organic transformations. Detailed computational and spectroscopic studies for the aminolysis reaction of epoxide reveal that this catalysis works through a different mechanism, and the phenalenyl cation activates the amine moiety using its empty NBMO, which triggers the epoxide ring-opening reaction. It has been shown that the energy of the NBMO of PLY cation plays a key role in modulating the catalytic activity. This study establishes that the cationic state of phenalenyl unit is useful not only for construction of the spin memory device by external spin injection using its NBMO, but in addition, the same NBMO can act as an organic Lewis acceptor unit to influence the catalytic outcome of a homogeneous reaction.

  DOI：

  10.1021/cs5010695

文献信息

• Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect
  申请人：Friedrich-Alexander-Universität Erlangen-Nürnberg

  公开号：US10828281B2

  公开（公告）日：2020-11-10

  The present invention is directed to compounds, tautomers, stereoisomers, and chemically modified compounds thereof, and their use in preventing and/or treating tumors of metastasis and/or cartilage defect, and to a pharmaceutical composition comprising such compound.

  本发明涉及其化合物、同系物、立体异构体和化学修饰化合物，及其在预防和/或治疗肿瘤转移和/或软骨缺损中的用途，以及包含此类化合物的药物组合物。
• Beasley et al., Journal of Pharmacy and Pharmacology, 1958, vol. 10, p. 47,59
  作者：Beasley et al.

  DOI：——

  日期：——
• 1-Aryloxy-3-[N-heterocyclicamino]-2-propanols¹
  作者：C. B. Pollard、R. W. Ingwalson

  DOI：10.1021/ja01617a083

  日期：1955.6
• Ing; Ormerod, Journal of Pharmacy and Pharmacology, 1952, vol. 4, p. 21,25
  作者：Ing、Ormerod

  DOI：——

  日期：——
• US6239313B1
  申请人：——

  公开号：US6239313B1

  公开（公告）日：2001-05-29