(o-C6H4NMe2*HCl)C(H)N(Me)O | 267238-04-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (o-C6H4NMe2*HCl)C(H)N(Me)O
• CAS: 267238-04-0
• 化学式: C₁₀H₁₄N₂O*ClH
• 分子量: 214.695
• InChiKey: DFIGJDFEUUBIMW-MXZHIVQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  cis-{Pt(MeCN)2Cl4} 、 (o-C6H4NMe2*HCl)C(H)N(Me)O 以 二氯甲烷 为溶剂， 以98%的产率得到trans-[PtCl4(N=C(Me)O-N(Me)-C(H)(p-C6H4NMe2)*HCl)2]
  参考文献：
  名称：

  Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ⁴-1,2,4-Oxadiazolines

  摘要：

  [2 + 3] cycloaddition between acetonitrile ligands in the platinum(IV) complex [PtCl4(MeCN)(2)] and the nitrones -O+N(R-3)=C(R-1)(R-2) [R-1 = H, R-2 = Ph, sigma-C6H4OH, p-C6H4Me, p-C6H4OMe, p-C6H4NO2, p-C6H4NMe2, p-C6H4NMe2.HCl, R-3 = Me; R-1 = H, R-2 = Ph, 'Bu, R-3 = CH2Ph] proceeds smoothly under mild conditions and gives the first examples of Delta(4)-1,2,4-oxadiazoline complexes, [PtCl4{(N=C(Me)O-N(R-3)-C)(R-1)(R-2)}(2)], as a 1:1 mixture of two diastereoisomers. in 70-90% yields. The heterocyclic ligands were liberated almost quantitatively by reaction at room temperature of the complexes with a slight excess of pyridine in chloroform giving free (N=C(Me)O-N(R-3)-C)(R-1)(R-2) and trans-[PtCl4(pyridine)(2)]; subsequent workup allowed the isolation of the novel Delta(4)-1,2,4-oxadiazolines. All prepared compounds were characterized by elemental analyses. FAB or EI mass spectrometry, and IR and H-1, C-13{H-1}, and (195)pt (metal complexes) NMR spectroscopies: X-ray structure determination was performed for the (R,S) diastereoisomer of trans-[PtCl4{(N=C(Me)ON(Me)-C)H(p-C6H4OMe)}(2)].

  DOI：

  10.1021/ja993564f