3,4-Bis(bromomethyl)benzoyl chloride | 797789-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-Bis(bromomethyl)benzoyl chloride
• 英文别名: 3,4-bis(bromomethyl)benzoyl chloride
• CAS: 797789-09-4
• 化学式: C₉H₇Br₂ClO
• 分子量: 326.415
• InChiKey: SHJPFYKJTKUMOV-UHFFFAOYSA-N

物化性质

• 沸点：
  363.9±42.0 °C(Predicted)
• 密度：
  1.867±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  脱氧胆酸甲酯 、 3,4-Bis(bromomethyl)benzoyl chloride 在 potassium hydrogencarbonate 作用下， 以 甲苯 为溶剂， 反应 23.0h， 以34%的产率得到methyl 3α,12α-bis{[3,4-bis(bromomethyl)phenyl]methanoyloxy}-5β-cholan-24-oate
  参考文献：
  名称：

  Synthesis of chiral [60]fullerene-steroid bisadducts using steroid templates

  摘要：

  The double [4+2] cycloadditions between [60]fullerene and steroid-appended dibenzoates 7 and 8, the reaction sites of which were controlled by diols in chiral template molecules, afforded [60]fullerene-steroid bisadducts 11 and 12 regio- and chiroselectively. CD spectroscopic studies of 11 and 12 indicated that the magnitude of the Cotton effects changes reflecting the chiral structure of the steroid moiety in 11 and 12. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00742-5
• 作为产物：
  描述：

  3,4-双(溴甲基)苯甲酸 在 氯化亚砜 作用下， 反应 2.0h， 生成 3,4-Bis(bromomethyl)benzoyl chloride
  参考文献：
  名称：

  Synthesis of chiral [60]fullerene-steroid bisadducts using steroid templates

  摘要：

  The double [4+2] cycloadditions between [60]fullerene and steroid-appended dibenzoates 7 and 8, the reaction sites of which were controlled by diols in chiral template molecules, afforded [60]fullerene-steroid bisadducts 11 and 12 regio- and chiroselectively. CD spectroscopic studies of 11 and 12 indicated that the magnitude of the Cotton effects changes reflecting the chiral structure of the steroid moiety in 11 and 12. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00742-5

文献信息

• End-Capping of a Pseudorotaxane via Diels−Alder Reaction for the Construction of C₆₀-Terminated [2]Rotaxanes
  作者：Hisahiro Sasabe、Nobuhiro Kihara、Yoshio Furusho、Kazuhiko Mizuno、Akiya Ogawa、Toshikazu Takata

  DOI：10.1021/ol048433k

  日期：2004.10.1

  [reaction: see text] The Diels-Alder reaction of various dienophiles such as C(60) with a pseudorotaxane having a sultine moiety afforded corresponding [2]rotaxanes in moderate yields. The introduction of a porphyrin moiety on the wheel component considerably enhanced the efficiency of the end-capping reaction with C(60).

  [反应：见正文]诸如C（60）之类的各种亲二烯体与具有硫氰酸根部分的假轮烷的Diels-Alder反应以中等收率提供了相应的[2]轮烷。在车轮部件上引入卟啉部分极大地提高了与C（60）的封端反应的效率。
• Photoinduced Intramolecular Electron-Transfer Processes in [60]Fullerene-(Spacer)-<i>N,N</i>-Bis(biphenylyl)aniline Dyad in Solutions
  作者：G. Abraham Rajkumar、Atula S. D. Sandanayaka、Kei-ichiro Ikeshita、Mitsunari Itou、Yasuyuki Araki、Yoshio Furusho、Nobuhiro Kihara、Osamu Ito、Toshikazu Takata

  DOI：10.1021/jp046879c

  日期：2005.3.1

  Intramolecular photoinduced charge-separation and charge-recombination processes in a covalently connected C60-(spacer)-N,N-bis(biphenylyl)aniline (C60-spacer-BBA) dyad, in which the center-to-center distance of the electron acceptor and electron donor is 15 A, have been studied by time-resolved fluorescence and transient absorption methods. The observed low fluorescence intensity and the short fluorescence

  共价连接的C60-（间隔基）-N，N-双（联苯基）苯胺（C60-间隔基-BBA）二价分子内的分子内光诱导电荷分离和电荷复合过程，其中电子的中心距受体和电子供体为15 A，已通过时间分辨荧光和瞬态吸收方法进行了研究。在PhCN和THF中观察到的低荧光强度和二元组C60部分的短荧光寿命表明，电荷分离是通过C60部分的激发单重态以非常快的速度和高效率进行的。PhCN和THF中的纳秒瞬态吸收光谱显示在880和1100 nm处有宽吸收带，这归因于C60（*-）-间隔物-BBA（* +）。在室温下，PhCN和THF中电荷分离态的寿命为330-360 ns。根据温度与电荷重组速率常数的关系，重组能量估计为0.77-0.87 eV，这表明电荷重组过程位于抛物线的马库斯区。随着温度降低，由于C60（*-）-间隔基-BBA（* +）溶剂化的增加，经由C60部分的激发三重态的电荷分离贡献增加。
• Synthesis of chiral [60]fullerene-steroid bisadducts using steroid templates
  作者：Tsutomu Ishi-i、Seiji Shinkai

  DOI：10.1016/s0040-4020(99)00742-5

  日期：1999.10

  The double [4+2] cycloadditions between [60]fullerene and steroid-appended dibenzoates 7 and 8, the reaction sites of which were controlled by diols in chiral template molecules, afforded [60]fullerene-steroid bisadducts 11 and 12 regio- and chiroselectively. CD spectroscopic studies of 11 and 12 indicated that the magnitude of the Cotton effects changes reflecting the chiral structure of the steroid moiety in 11 and 12. (C) 1999 Elsevier Science Ltd. All rights reserved.