1,1-diphenyl-2-pyridin-2-ylethanethiolate;nickel(2+) | 197641-94-4

• 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: 1,1-diphenyl-2-pyridin-2-ylethanethiolate;nickel(2+)
• CAS: 197641-94-4
• 化学式: C₃₈H₃₂N₂NiS₂
• 分子量: 639.507
• InChiKey: VEDXYHAYSLOYJL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  nickel(II) acetylacetonate dihydrate 、 2-(2,2-diphenyl-2-mercaptoethyl)pyridine hydrochloride 在 NaHCO₃ 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以91.4%的产率得到1,1-diphenyl-2-pyridin-2-ylethanethiolate;nickel(2+)
  参考文献：
  名称：

  Square planar nickel compounds with bulky thiols

  摘要：

  Details of the syntheses and the results of X-ray structural analyses of square planar Ni compounds with aliphatic thiolato-sulfur ligands, [Ni(dpmep)(2)] (1) and [Ni(tpttd)] (2), where Hdmep and H(2)tpttd are the abbreviations for 2-(2,2-diphenyl-2-mercaptoethyl)pyridine and 2,2',11,11'-tetraphenyl-1,5,8,12-tetrathiadodecane respectively, are presented. Each of the thiolato-sulfur atoms of these compounds is sterically protected by two benzene rings at the alpha carbon position to suppress dimerization upon synthesis. 1.1.5Ch(2)Cl(2) . MeCN crystallizes monoclinic P2(1)/n with a = 18.362(3), b = 16.894(4), c = 13.273(4) Angstrom, beta = 104.59(2)degrees, V = 3984(3) Angstrom(3) and Z = 4.2.1.5MeCN crystallizes triclinic with a = 15.091(6), b = 15.661(3), c = 14.085(7) Angstrom, alpha = 96.00(2), beta = 90.89(4), gamma = 99.70(2)degrees, V = 32.61(4) Angstrom(3) and Z = 4. The Ni-S and Ni-N bond lengths of 1 were compared with those of the nickel center in the A-cluster of carbon monoxide dehydrogenase. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05653-3