1,3-bis(bromomethyl)-2-iodobenzene | 60041-67-0

• 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: 1,3-bis(bromomethyl)-2-iodobenzene
• 英文别名: 2.6-Bis-(brommethyl)-jodbenzol
• CAS: 60041-67-0
• 化学式: C₈H₇Br₂I
• 分子量: 389.856
• InChiKey: HFFYSECNGWGKAM-UHFFFAOYSA-N

物化性质

• 沸点：
  356.2±32.0 °C(Predicted)
• 密度：
  2.286±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3-bis(bromomethyl)-2-iodobenzene 在 四(乙腈)三氟甲磺酸铜(I) 、 四丁基氯化铵 、 氢溴酸 、 caesium carbonate 、 溶剂黄146 、 sodium bromide 、 苯酚 作用下， 以 氘代乙腈 、 乙腈 为溶剂， 反应 97.5h， 生成 17-Bromo-7-methyl-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
  参考文献：
  名称：

  Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a Cu^I/Cu^III Catalytic Cycle

  摘要：

  Copper-catalyzed halide exchange reactions under very mild reaction conditions are described for the first time using a family of model aryl halide substrates. All combinations of halide exchange (I, Br, Cl, F) are observed using catalytic amounts of Cu-I. Strikingly, quantitative fluorination of aryl X substrates is also achieved catalytically at room temperature, using common F- sources, via the intermediacy of aryl-Cu-III-X species. Experimental and computational data support a redox Cu-I/Cu-III catalytic cycle involving aryl X oxidative addition at the Cu-I center, followed by halide exchange and reductive elimination steps. Additionally, defluorination of the aryl-F model system can be also achieved with Cu-I at room temperature operating under a Cu-I/Cu-III redox pair.

  DOI：

  10.1021/ja2058567
• 作为产物：
  描述：

  1,3-二甲基-2-碘苯 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 1,3-bis(bromomethyl)-2-iodobenzene
  参考文献：
  名称：

  Wieder,W. et al., Justus Liebigs Annalen der Chemie, 1976, p. 924 - 945

  摘要：

  DOI：

文献信息

• Identification and display of peptide ligands
  申请人：OXFORD UNIVERSITY INNOVATION LIMITED

  公开号：US10351847B2

  公开（公告）日：2019-07-16

  A carrier to which is attached a peptide and DNA encoding the peptide, wherein the peptide includes at least one non-natural amino acid and/or wherein the peptide has a constrained secondary structure; or a carrier to which is attached β2 microglobulin, a peptide, and DNA encoding the peptide, said carrier not bearing an MHC or MHC-like molecule.

  一种载体，其上附有多肽和编码多肽的 DNA，其中多肽包括至少一个非天然氨基酸和/或多肽具有受约束的二级结构；或一种载体，其上附有β2 微球蛋白、多肽和编码多肽的 DNA，所述载体不含 MHC 或类似 MHC 分子。
• Luening, Ulrich; Ross, Haymo; Thondorf, Iris, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1998, # 6, p. 1313 - 1317
  作者：Luening, Ulrich、Ross, Haymo、Thondorf, Iris

  DOI：——

  日期：——
• IDENTIFICATION AND DISPLAY OF PEPTIDE LIGANDS
  申请人：ISIS INNOVATION LIMITED

  公开号：US20160298109A1

  公开（公告）日：2016-10-13

  A carrier to which is attached a peptide and DNA encoding the peptide, wherein the peptide includes at least one non-natural amino acid and/or wherein the peptide has a constrained secondary structure; or a carrier to which is attached β2 micro-globulin, a peptide, and DNA encoding the peptide, said carrier not bearing an MHC or MHC-like molecule.