DHzD | 1108203-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: DHzD
• 英文别名: 6,6'-[1,1'-(hydrazine-1,2-diylidene)bis(ethan-1-yl-1-ylidene)]bis(1,3,7-trimethylpteridine-2,4(1H,3H)-dione)
• CAS: 1108203-78-6
• 化学式: C₂₂H₂₄N₁₀O₄
• 分子量: 492.497
• InChiKey: UPAVDTBYBNUWJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.78
• 重原子数：
  36.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  164.28
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  五羰基氯铼(I) 、 DHzD 以 甲苯 为溶剂， 反应 12.0h， 以35%的产率得到Re2Cl2(CO)6(6,6'-[1,1'-(hydrazine-1,2-diylidene)bis(ethan-1-yl-1-ylidene)]bis(1,3,7-trimethylpteridine-2,4(1H,3H)-dione))
  参考文献：
  名称：

  Re(I) and Ag(I) complexes containing the polydentate symmetric diazine derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione in two different binuclear modes

  摘要：

  The symmetric diazine derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione, (6,6',1,1'-(hydrazine-1,2-diylidene) bis (ethan-1-yl-1-ylidene) his (1,3,7-trimethylpteridine-2,4(1H,3H)-dione), DHzD) has been prepared and reacted with ReCl(CO)(5) and AgClO4 to give binuclear complexes with formula fRe(2)C(12)(CO)(6)(DHzD)]center dot 2CH(3)CN and [Ag-2(DHzD)(2)](ClO4)(2)center dot 7H(2)O. The XRD single-crystal results indicate two quite different binuclear modes depending on the number of ligands and the counteranion coordinative capacities. Thus, the dirhenium complex consists in two fac-ReCl(CO)(3)(+) units attached to the N5-O4 bidentate sites from both pteridine moieties of the ZZ' isomer of the ligand (Re-O, 2.185(5) and Re-N5, 2.225(6) angstrom). The disilver complex displays two crystallographically independent but practically equivalent 3 + 3-coordinated silver centers to N61, N5 and O4 atoms from both DHzD ligands (E,E' isomer); distances Ag-N range between 2.31 and 2.48 angstrom, whereas oxygen atoms are weaker bonded (2.65-2.82 angstrom). In the molecular units there are not M-M bonds, both metal atoms lying farther than the sum of Van der Waals' radii (Re-Re, 7.959(5) angstrom; Ag-Ag, 4.073(5) angstrom). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.033
• 作为产物：
  描述：

  1,3-二甲基-6-亚氨基-5-异亚硝基尿嘧啶 在 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 DHzD
  参考文献：
  名称：

  Re(I) and Ag(I) complexes containing the polydentate symmetric diazine derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione in two different binuclear modes

  摘要：

  The symmetric diazine derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione, (6,6',1,1'-(hydrazine-1,2-diylidene) bis (ethan-1-yl-1-ylidene) his (1,3,7-trimethylpteridine-2,4(1H,3H)-dione), DHzD) has been prepared and reacted with ReCl(CO)(5) and AgClO4 to give binuclear complexes with formula fRe(2)C(12)(CO)(6)(DHzD)]center dot 2CH(3)CN and [Ag-2(DHzD)(2)](ClO4)(2)center dot 7H(2)O. The XRD single-crystal results indicate two quite different binuclear modes depending on the number of ligands and the counteranion coordinative capacities. Thus, the dirhenium complex consists in two fac-ReCl(CO)(3)(+) units attached to the N5-O4 bidentate sites from both pteridine moieties of the ZZ' isomer of the ligand (Re-O, 2.185(5) and Re-N5, 2.225(6) angstrom). The disilver complex displays two crystallographically independent but practically equivalent 3 + 3-coordinated silver centers to N61, N5 and O4 atoms from both DHzD ligands (E,E' isomer); distances Ag-N range between 2.31 and 2.48 angstrom, whereas oxygen atoms are weaker bonded (2.65-2.82 angstrom). In the molecular units there are not M-M bonds, both metal atoms lying farther than the sum of Van der Waals' radii (Re-Re, 7.959(5) angstrom; Ag-Ag, 4.073(5) angstrom). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.033