2-thio-5-methylisophthalaldehyde | 152826-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 2-thio-5-methylisophthalaldehyde
• 英文别名: 2,6-diformyl-4-methylthiophenol；5-Methyl-2-sulfanylbenzene-1,3-dicarbaldehyde
• CAS: 152826-61-4
• 化学式: C₉H₈O₂S
• 分子量: 180.227
• InChiKey: CDHSMGOKJCBBIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  35.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-thio-5-methylisophthalaldehyde 、 (111)cadmium acetate 、 异丙胺 以 甲醇 为溶剂， 以75%的产率得到bis(N,N'-disopropyl-2-thio-5-methylisophthalaldiminato)(111)cadmium (III)
  参考文献：
  名称：

  Korobov, M. S.; Borodkin, G. S.; Nivorozhkin, L. E., Doklady Chemistry, 1989, vol. 309, p. 330 - 334

  摘要：

  DOI：

文献信息

• A tetranickel(ii) macrocyclic complex incorporating five different bridging groups
  作者：Paul E. Kruger、Vickie McKee

  DOI：10.1039/a702788e

  日期：——

  The synthesis and crystal structure of the tetranickel(II) complex [Ni 4 (L 1 )(OH)(MeCO 2 ) 3 (MeCO 2 H)] is reported, where H 4 L 1 is a macrocyclic ligand incorporating thiophenolate, alkoxo and imine donors; the faces of the tetranickel array are differentiated and two of the nickel ions share three monatomic bridges (S,O,O).

  报告了四镍（II）配合物（Ni4（L1（OH）（MeCO2（MeCO2H））3））的合成和晶体结构，其中H4L1是一种包含噻吩酚、烷氧基和亚胺供体的宏观配体；四镍阵列的表面是不同的，其中两个镍离子共享三个单原子桥（S，O，O）。
• Polynuclear nickel(<scp>II</scp>) complexes of N₄O₂- and N₄S₂-compartmental macrocycles: the structures of a Ni₄O₄cubane cluster and the binuclear nickel(<scp>II</scp>) complex of a benzenethiolate macrocycle
  作者：Andrew J. Atkins、Alexander J. Blake、Martin Schröder

  DOI：10.1039/c39930001662

  日期：——

  The tetranuclear cluster [Ni2(L1)(MeCO2)}2]2+(L1= the dianion of the condensation product of 1,3-diaminopropane and 2,6-diformyl-4-methylphenol) shows a distorted Ni4O4cubane structure consisting of octahedral nickel(II) centre; the structure of the dithiolate analogue [Ni2(L2)](PF6)2·2dmf (L2= the dianion of the condensation product of 1,3- diaminopropane and 2,6-diformyl-4-methylbenzenethiol;dmf

  四核簇[Ni 2（L 1）（MeCO 2）} 2 ] 2+（L 1 = 1,3-二氨基丙烷和2,6-二甲酰基-4-甲基苯酚的缩合产物的二价阴离子）显示畸变Ni 4 O 4古巴结构，由八面体镍（Ⅱ）中心组成；二硫醇盐类似物[Ni 2（L 2）]（PF 6）2 ·2dmf的结构（L 2 = 1,3-二氨基丙烷和2,6-二甲酰基-4-甲基苯硫醇的缩合产物的二价阴离子； dmf =二甲基甲酰胺）在镍上显示出方形-平面配位（II）。
• Atkins, Andrew J.; Black, Daniel; Blake, Alexander J., Journal of the Chemical Society. Chemical communications
  作者：Atkins, Andrew J.、Black, Daniel、Blake, Alexander J.、Marin-Becerra, Armando、Parsons, Simon、et al.

  DOI：——

  日期：——
• Synthesis and structure of tetranuclear zinc(<scp>II</scp>) and binuclear copper(<scp>II</scp>) complexes of a dithiolate compartmental macrocyclic ligand: a model for the binuclear Cu_Asite in cytochrome c oxidase and N₂O reductase
  作者：Neil D. J. Branscombe、Alexander J. Blake、Armando Marin-Becerra、Wan-Sheung Li、Simon Parsons、Lena Ruiz-Ramirez、Martin Schröder

  DOI：10.1039/cc9960002573

  日期：——

  The tetranuclear cluster [Zn(2)L(mu-OH)](2)[ClO4](2) . 2H(2)O (L = dianion of the condensation product of 1,3-diaminopropane and 2,6-diformyl-4-methylthiophenol) shows two unique dinuclear Zn-II units linked by two Ir-hydroxy bridges; the structure of the Cu-II complex [Cu(2)L(HOMe)(2)](NO3)]PF6 shows square-pyramidal coordination at the Cu centres with two thiolate bridges and two terminal N-donors, with a Cu ... Cu separation of 3.264(2) Angstrom.
• Korobov, M. S.; Borodkin, G. S.; Nivorozhkin, L. E., Doklady Chemistry, 1989, vol. 309, p. 330 - 334
  作者：Korobov, M. S.、Borodkin, G. S.、Nivorozhkin, L. E.、Minkin, V. L.

  DOI：——

  日期：——