3,3',3''-Nitrilotripropylisocyanid | 2456-97-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3',3''-Nitrilotripropylisocyanid
• 英文别名: 3-Isocyano-N,N-bis(3-isocyanopropyl)propan-1-amine
• CAS: 2456-97-5
• 化学式: C₁₂H₁₈N₄
• 分子量: 218.302
• InChiKey: IGVKNTGBMSBIJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  16.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (η(6)-toluene)tungsten(0) tricarbonyl 、 3,3',3''-Nitrilotripropylisocyanid 以 二氯甲烷 为溶剂， 生成 fac-{W(CO)3(N(C3H6NC)3)}
  参考文献：
  名称：

  Hahn, F. Ekkehardt; Tamm, Matthias, Angewandte Chemie, 1991, vol. 103, # 2, p. 213 - 215

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N',N''-triformamid 在 三氯乙酰氯 作用下， 生成 3,3',3''-Nitrilotripropylisocyanid
  参考文献：
  名称：

  Hahn, F. Ekkehardt; Tamm, Matthias, Angewandte Chemie, 1991, vol. 103, # 2, p. 213 - 215

  摘要：

  DOI：

文献信息

• Hahn, F. Ekkehardt; Tamm, Matthias, Angewandte Chemie, 1992, vol. 104, # 9, p. 1218 - 1221
  作者：Hahn, F. Ekkehardt、Tamm, Matthias

  DOI：——

  日期：——
• Chelate Complexes with Aliphatic Tripodal Triisocyanide Ligands: Synthesis and Crystal Structures of fac-{[HC(CH2CH2CH2NC)3]W(CO)3}, fac-{[N(CH2CH2CH2NC)3]W(CO)3}, and the Dimer fac,fac-{[N(CH2CH2CH2NC)3]W(CO)3}2
  作者：F. Ekkehardt Hahn、Matthias Tamm

  DOI：10.1021/om00020a016

  日期：1994.8

  The aliphatic tripodal triisocyanide ligands 3,3',3''-Nitrilotripropyl isocyanide (5) and 3,3',3''-Methylidynetripropyl isocyanide (9) react with (cycloheptatriene)metal carbonyls (M = Cr, W) to give the chelate complexes fac-[HC(CH2CH2CH2NC)3]M(CO)3} [10; M = Cr (a), W (b)], and w-[N(CH2CH2CH2NC)3]W(CO)3} (11). If the reaction of 5 with (C7H8)W(CO)3 is carried out at a high concentration of the reactants, the dimer fac,fac-[N(CH2CH2CH2NC)3]W(CO)3}2 (12) can be isolated in a small (up to 5%) yield together with 11. 10b, 11, and 12 have been characterized by single-crystal X-ray structure analyses. Crystallographic data for 10b [11] 12} are as follows: formula C16H19N303W [C15H18N403W] C30H36N8O6W2}, crystal system monoclinic [monoclinic] monoclinic}, space group P2(1) [P2(1)] P2(1)/c}, a = 7.974(2) [7.8685(12)] 8.557(3)} angstrom, b = 13.588(2) [13.468(3)] 11.269(6)} angstrom, c = 8.104(2) [8.1525(11)] 19.004(7)} angstrom, beta = 99.52(3) [98.501(12)] 199.51(3)}-degrees, and Z = 2 [2] 2} The monomeric complexes of 5 and 9 contain three 12-membered chelate rings, the smallest rings observed so far for facially coordinated tripodal triisocyanides. The central nitrogen atoms of the ligand 5 in the complexes 11 and 12 are not protonated and assume the ''in'' conformation. In 10b the central methine unit is also found in the in configuration, with the C-H vector pointing toward the tungsten atom. This behavior could be predicted from the signal for the methine proton in the H-1 NMR spectrum of 10. This signal is shifted downfield by approximately 1 ppm compared to the corresponding signal for the free ligand due to deshielding of the proton by the NC triple bonds, which is indicative of the in configuration.
• Hahn, F. Ekkehardt; Tamm, Matthias, Organometallics, 1992, vol. 11, p. 84 - 90
  作者：Hahn, F. Ekkehardt、Tamm, Matthias

  DOI：——

  日期：——