3'-(4-chlorophenyl)isoxazoline[4',5':1,2][60]fullerene | 1257420-50-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3'-(4-chlorophenyl)isoxazoline[4',5':1,2][60]fullerene
• 英文别名: 3-(4-chlorophenyl)isoxazoline-[4',5':1,2][60]fullerene
• CAS: 1257420-50-0
• 化学式: C₆₇H₄ClNO
• 分子量: 874.228
• InChiKey: SPLZCYBTJCCAHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.34
• 重原子数：
  70.0
• 可旋转键数：
  1.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  、 足球烯 在 silver(I) nitrite 、 三氟乙酸 作用下， 以 二甲基亚砜 、 邻二氯苯 为溶剂， 反应 2.0h， 以52%的产率得到3'-(4-chlorophenyl)isoxazoline[4',5':1,2][60]fullerene
  参考文献：
  名称：

  AgNO₂-mediated cleavage of the N–N bond of sulfonylhydrazones and oxygen transfer: access to fulleroisoxazolines via radical cyclization with [60]fullerene

  摘要：

  第一个例子涉及磺酰肼的N-N键裂解，并开发了一种合成富勒烯异噁唑啉的新方法。

  DOI：

  10.1039/c5cc04934b

文献信息

• Microwave-assisted synthesis of fulleropyrazolines/fulleroisoxazolines mediated by (diacetoxyiodo)benzene: a rapid and green procedure
  作者：Javad Safaei-Ghomi、Reihaneh Masoomi

  DOI：10.1039/c3ra44567d

  日期：——

  Microwave as a green, rapid and effective procedure has been applied to the synthesis of fulleropyrazolines/fulleroisoxazolines. The reaction mixtures containing substituted phenylhydrazones/oximes, C60 and PhI(OAc)2 allowed to achieve products at room temperature in a good yield and short time without any side product.

  微波作为一种绿色、快速和有效的方法被应用于全酰吡唑/全异噁唑类化合物的合成。含有取代的苯肼/肟、C60 和 PhI(OAc)2 的反应混合物可在室温下以较高的产率和较短的时间合成产品，且无任何副产物。
• Grinding-induced synthesis of heterocyclic fullerene derivatives under solvent-free conditions
  作者：Javad Safaei-Ghomi、Reihaneh Masoomi

  DOI：10.1007/s10593-015-1657-x

  日期：2015.1

  In this research, a green, easy, and effective solvent-free procedure for the synthesis of heterocyclic fullerene derivatives has been achieved via 1,3-dipolar cycloaddition reaction of C60, substituted arylhydrazones/oximes, and PhI(OAc)2 under grinding as a simple physical-mechanical method. This approach does not involve any hazardous organic solvent and has various advantages including design of

  在这项研究中，通过研磨过程中C 60，取代的芳基hydr /肟和PhI（OAc）2的1,3-偶极环加成反应，已实现了一种绿色，简便且有效的无溶剂合成杂环富勒烯衍生物的方法。作为一种简单的物理机械方法。该方法不涉及任何有害的有机溶剂，并具有多种优势，包括设计了中等至良好收率的安全反应条件，反应时间短。
• An efficient one-step synthesis of fulleroisoxazolines and fulleropyrazolines mediated by (diacetoxyiodo)benzene
  作者：Hai-Tao Yang、Xiao-Jiao Ruan、Chun-Bao Miao、Xiao-Qiang Sun

  DOI：10.1016/j.tetlet.2010.09.038

  日期：2010.11

  An efficient one-step strategy for the synthesis of fulleroisoxazolines/fulleropyrazolines from fullerene and aldoximes/hydrazones mediated by PhI(OAc)(2) has been described. (C) 2010 Elsevier Ltd. All rights reserved.
• An efficient comparison of methods involving conventional, grinding and ultrasound conditions for the synthesis of fulleroisoxazolines
  作者：Javad Safaei-Ghomi、Reihaneh Masoomi

  DOI：10.1016/j.ultsonch.2014.08.004

  日期：2015.3

  In this research, an efficient comparison between conventional, grinding and sonication methods for the synthesis of fulleroisoxazolines was investigated. Compared to the conventional methods, ultrasound procedure showed several advantages including mild reaction conditions, high yields, short reaction times and environmental friendliness. (C) 2014 Elsevier B.V. All rights reserved.