2-phenoxyethylthienylselenide | 600715-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-phenoxyethylthienylselenide
• 英文别名: 2-(2-Phenoxyethylselanyl)thiophene
• CAS: 600715-02-4
• 化学式: C₁₂H₁₂OSSe
• 分子量: 283.253
• InChiKey: CNZUJNZCCKEUID-UHFFFAOYSA-N

物化性质

• 沸点：
  379.0±38.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(triphenylphosphine)nickel(II) chloride 、 二(氰基苯)二氯化钯 、 二氯甲烷 、 2-phenoxyethylthienylselenide 以 苯 为溶剂， 生成 Dichloromethane;dichloropalladium;triphenylphosphane 、 [Pd2Cl2(μ-Cl)(μ-SeTh)(PPh3)2]
  参考文献：
  名称：

  C4H3SSeCH2CH2OC6H5: synthesis, characterization and reaction with palladium(II) and nickel(II)

  摘要：

  ThSeCH2CH2OPh (Th = 2-thienyl, C4H3S-; Ph = phenyl) (2) has been prepared by the reaction of BrCH2CH2OPh (1) and ThSeLi. The compound was characterized by C-13{H-1} - and Se-77-NMR spectroscopy and X-ray crystallography. 2 is monoclinic, space group P2(1)/c, a = 10.865(2), b = 5.152(l), c = 41.996(8) Angstrom, beta = 92.20(3)degrees. All bond lengths and angles are quite normal as exemplified by the respective Se-C(alkyl) and Se-C(aryl) bonds of 1.957(6)-1.966(6) and 1.901(7)-1.905(7) Angstrom. The lattice is composed of discrete molecules that are joined together by weak hydrogen bonds into a three-dimensional network. Upon treating ThSeCH2CH2OPh with [PdCl2(NCPh)(2)] and [NiCl2(PPh3)(2)] in benzene, a dinuclear palladium complex [Pd2Cl2(mu-Cl)(mu-Th)(PPh3)(2)] (3) and a mononuclear complex [PdCl2(PPh3)(2)] (4) were formed together with a precipitation of NiCl2. The X-ray quality crystals were recrystallized in CH2Cl2. 3.2.5CH(2)Cl(2) is monoclinic, space group C2/c, a = 32.907(7), b = 14.545(3), c = 22.433(5) At beta = 114.37(3)degrees and contains a novel asymmetrical arrangement of one bridging chlorido and thienylselenolato ligand. Both palladium atoms show an square-planar coordination. The terminal Pd-Cl bond lengths are 2.388(l) and 2.346(l) Angstrom with slightly longer distances of 2.418(l) and 2.450(l) Angstrom involving the bridging chlorido ligand. The Pd-Se distances are 2.4092(9) and 2.4376(7) Angstrom. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00450-9
• 作为产物：
  描述：

  噻吩 、 2-苯氧乙基溴 在 正丁基锂 、 selenium 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以54%的产率得到2-phenoxyethylthienylselenide
  参考文献：
  名称：

  C4H3SSeCH2CH2OC6H5: synthesis, characterization and reaction with palladium(II) and nickel(II)

  摘要：

  ThSeCH2CH2OPh (Th = 2-thienyl, C4H3S-; Ph = phenyl) (2) has been prepared by the reaction of BrCH2CH2OPh (1) and ThSeLi. The compound was characterized by C-13{H-1} - and Se-77-NMR spectroscopy and X-ray crystallography. 2 is monoclinic, space group P2(1)/c, a = 10.865(2), b = 5.152(l), c = 41.996(8) Angstrom, beta = 92.20(3)degrees. All bond lengths and angles are quite normal as exemplified by the respective Se-C(alkyl) and Se-C(aryl) bonds of 1.957(6)-1.966(6) and 1.901(7)-1.905(7) Angstrom. The lattice is composed of discrete molecules that are joined together by weak hydrogen bonds into a three-dimensional network. Upon treating ThSeCH2CH2OPh with [PdCl2(NCPh)(2)] and [NiCl2(PPh3)(2)] in benzene, a dinuclear palladium complex [Pd2Cl2(mu-Cl)(mu-Th)(PPh3)(2)] (3) and a mononuclear complex [PdCl2(PPh3)(2)] (4) were formed together with a precipitation of NiCl2. The X-ray quality crystals were recrystallized in CH2Cl2. 3.2.5CH(2)Cl(2) is monoclinic, space group C2/c, a = 32.907(7), b = 14.545(3), c = 22.433(5) At beta = 114.37(3)degrees and contains a novel asymmetrical arrangement of one bridging chlorido and thienylselenolato ligand. Both palladium atoms show an square-planar coordination. The terminal Pd-Cl bond lengths are 2.388(l) and 2.346(l) Angstrom with slightly longer distances of 2.418(l) and 2.450(l) Angstrom involving the bridging chlorido ligand. The Pd-Se distances are 2.4092(9) and 2.4376(7) Angstrom. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00450-9