1-甲基-2-[3-(1-甲基苯并咪唑-2-基)丙基]苯并咪唑 | 142206-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-甲基-2-[3-(1-甲基苯并咪唑-2-基)丙基]苯并咪唑
• 英文名称: 1,3-bis(1-methylbenzimidazol-2-yl)propane
• 英文别名: 1H-Benzimidazole, 2,2'-(1,3-propanediyl)bis[1-methyl-；1-methyl-2-[3-(1-methylbenzimidazol-2-yl)propyl]benzimidazole
• CAS: 142206-40-4
• 化学式: C₁₉H₂₀N₄
• 分子量: 304.395
• InChiKey: PAAOHXDKNMOZSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  552.2±33.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 1-甲基-2-[3-(1-甲基苯并咪唑-2-基)丙基]苯并咪唑 、 copper(II) bis(trifluoromethanesulfonate) 以 甲醇 为溶剂， 生成 [Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2(μ-CF3SO3)](CF3SO3)
  参考文献：
  名称：

  Synthesis, spectroscopic properties and X-ray crystal structures of two dinuclear alkoxo-bridged copper(II) compounds with the ligand bis(1-methyl-2-benzimidazolyl) propane. A unique alkoxo-bridged Cu(II) dinuclear compound with an additional bidentate bridging triflate anion

  摘要：

  Based on the new ligand bis(1-methyl-2-benzimidazolyl) propane (abbreviated as mtbz) several new copper(II) coordination compounds have been prepared and characterized structurally and spectroscopically. Two representative compounds, i.e. [Cu-2(mtbz)(2)(CH3O)(2)(CF3SO3)](CF3SO3) (1) and [Cu-2(mtbz)(2)(CH3O)(2)](ClO4)(2) (4) were characterized structurally by X-ray diffraction. Crystal data for 1: monoclinic, space group P2(1)/c, a = 13.6585(5), b = 39.981(3), c = 20.919(1) Angstrom, beta = 125.98(1)degrees, Z = 8. Crystal data for 4: monoclinic, space group P2(1)/c, a = 13.115(2), b = 9.523(2), c = 17.908(4) Angstrom, beta = 111.71(1)degrees, Z = 2. Structures 1 and 4 each consist of a dinuclear unit with bridging methoxo groups and one ligand linked to each copper via an N atom. Structure 1 (which consists of two dinuclear, crystallographically independent, but chemically identical units) has the two copper atoms bridged by a triflate anion, providing each copper atom a square-pyramidal coordination, while the copper atoms in structure 4 have an almost a square-planar geometry. The Cu-Cu distances (Angstrom) within the dinuclear units are: 1, 2.9775(13), 2.9751(13); 4, 2.9872(16); the Cu-O-Cu bridging angles (degrees) are: 1, 101.7(3), 101.7(3), 100.9(3), 102.1(3); 4, 103.2(2). The mid-IR section focused on the vibrations of the triflate anion reveals interesting results concerning the assignment of that anion related to the nu(as)(S-O) band. Characteristic Cu-O vibrations in the far-IR section were found at 386 and 230 cm(-1) for the methoxo-bridged and 454 and 332 cm(-1) for the ethoxo-bridged compounds. These dinuclear species are EPR silent, and only a weak signal of monomeric impurities is observed. They also show a diamagnetic behavior below room temperature.

  DOI：

  10.1016/s0020-1693(96)05554-5

文献信息

• Bmp Gene and Fusion Protein
  申请人：Hidaka Chisa

  公开号：US20080260829A1

  公开（公告）日：2008-10-23

  This invention relates to BMP fusion genes, BMP fusion proteins. The invention further relates to methods for treatment using BMP fusion genes and BMP fusion proteins. Additionally, the invention relates to BMP fusion gene and BMP fusion protein pharmaceutical compositions.