2-Nitroso-2,5-diazahexan | 29104-67-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Nitroso-2,5-diazahexan
• 英文别名: Methyl({2-[methyl(nitroso)amino]ethyl})amine；N-methyl-N-[2-(methylamino)ethyl]nitrous amide
• CAS: 29104-67-4
• 化学式: C₄H₁₁N₃O
• mdl: MFCD19217350
• 分子量: 117.151
• InChiKey: ZXMNSYOLWDPQRP-UHFFFAOYSA-N

物化性质

• 沸点：
  232.9±23.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Nitroso-2,5-diazahexan 在 盐酸 、 汞 、 锌 作用下， 生成 N-methyl-2-(1-methylhydrazino)ethanamine
  参考文献：
  名称：

  Gol'din,G.S. et al., Journal of Organic Chemistry USSR (English Translation), 1974, vol. 10, p. 1644 - 1648

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-二甲基乙二胺 在 盐酸 、 sodium nitrite 作用下， 生成 2-Nitroso-2,5-diazahexan
  参考文献：
  名称：

  Gol'din,G.S. et al., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, p. 1177 - 1179

  摘要：

  DOI：

文献信息

• Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation
  作者：Moushumi Sarma、Biplab Mondal

  DOI：10.1039/c2dt11082b

  日期：——

  Three copper(II) complexes with bidentate ligands L1, L2 and L3 [L1, N,N/-dimethylethylenediamine; L2, N,N/-diethylethylenediamine and L3, N,N/-diisobutylethylenediamine], respectively, were synthesized as their perchlorate salts. The single crystal structures for all the complexes were determined. The nitric oxide reactivity of the complexes was studied in acetonitrile solvent. The formation of thermally

  具有双齿配体L 1，L 2和L 3 [ L 1，N，N /-二甲基乙二胺的三个铜（II）配合物；分别合成了L 2，N，N，N /-二乙基乙二胺和L 3，N，N，N /-二异丁基乙二胺。确定了所有配合物的单晶结构。配合物的一氧化氮反应性进行了研究。乙腈溶剂。热不稳定[形成Cu II -NO]与在乙腈中的溶液的一氧化氮的复合物的反应中间体中观察到铜（还原之前II）中心铜（我）。发现减少是由于在配体的仲胺位点同时发生亚硝基化。分离并表征了所有亚硝化产物。发现单亚硝化产物和二亚硝化产物的产率之比取决于存在于配体骨架中的N-取代。
• Garcia-Rio, Luis; Iglesias, Emilia; Leis, J. Ramon, Journal of the Chemical Society. Perkin transactions II, 1993, # 1, p. 29 - 37
  作者：Garcia-Rio, Luis、Iglesias, Emilia、Leis, J. Ramon、Pena, M. Elena、Rios, Ana

  DOI：——

  日期：——
• Nitrosation of Amines in Nonaqueous Solvents. 1. Evidence of a Stepwise Mechanism
  作者：L. García Río、J. R. Leis、E. Iglesias

  DOI：10.1021/jo970188d

  日期：1997.7.1
• Nitrosation of Amines in Nonaqueous Solvents. 2. Solvent-Induced Mechanistic Changes
  作者：L. García-Río、J. R. Leis、E. Iglesias

  DOI：10.1021/jo9701896

  日期：1997.7.1

  We studied the nitrosation of amines (pyrrolidine, piperidine, diethylamine, N-methylpiperazine, N,N'-dimethylethylenediamine, and morpholine) by alkyl nitrites (2-bromoethyl nitrite or 2,2-dichloroethyl nitrite) or by N-methyl-N-nitroso-p-toluenesulfonamide (MNTS) in the solvents chloroform, acetonitrile, and dimethyl sulfoxide (DMSO). The mechanism of nitrosation by alkyl nitrites depends on the solvent: in chloroform, all the results were in keeping with formation of a hydrogen-bonded complex between the amine and alkyl nitrite being followed by rate-controlling formation of a tetrahedral intermediate T+/- that rapidly decomposes to afford the final products; in acetonitrile, a situation intermediate between those obtaining in chloroform and cyclohexane results in the [amine] dependence of the first-order pseudoconstant k(0) being qualitatively influenced by temperature and by the identities of both the amine and the alkyl nitrite; in DMSO, the results suggest a mechanism close to the mechanism acting in water. For nitrosation by MNTS, k(0) depended linearly on [amine] in all three solvents. The Grunwald-Winstein coefficients correlating the rate constants k for nitrosation by MNTS in the chloroform, acetonitrile, DMSO, dioxane, dichloromethane, and water were l = 0.12 and m = 0.29. Correlation with the Kamlet-Abboud-Taft equation confirmed that k depends largely on the dipolarity of the solvent and, to a lesser extent, its capacity for hydrogen bonding.
• Gol'din,G.S. et al., Journal of Organic Chemistry USSR (English Translation), 1974, vol. 10, p. 1644 - 1648
  作者：Gol'din,G.S. et al.

  DOI：——

  日期：——