1,4-diaminopiperazine 1,4-dihydrochloride | 89831-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,4-diaminopiperazine 1,4-dihydrochloride
• 英文别名: Piperazine-1,4-diamine hydrochloride；piperazine-1,4-diamine;hydrochloride
• CAS: 89831-16-3
• 化学式: C₄H₁₂N₄*2ClH
• 分子量: 189.088
• InChiKey: WVRYRXKGFUCBIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.23
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-diaminopiperazine 1,4-dihydrochloride 在 silver dinitramide 作用下， 以 甲醇 为溶剂， 以90%的产率得到Piperazine-1,4-diamine; compound with GENERIC INORGANIC NEUTRAL COMPONENT
  参考文献：
  名称：

  Dinitramide and its salts

  摘要：

  The methods for preparation and the properties of dinitramide salts with ammonia, hydrazine, hydroxylamine, formamidine, their alkylated and aminated derivatives, etc. are described.

  DOI：

  10.1007/bf00696969

文献信息

• New Cyclic Imides and Quinazolin-2,4-diones Based on 1,2,3,6-Tetrahydrophthalic anhydride: Synthesis, Semiempirical Study and in vitro Evaluation
  作者：Ahmed Abo-Bakr、Mohamed Taha、Antonous Mekhael、Mounir Mohamed

  DOI：10.21608/ejchem.2022.136172.6000

  日期：2022.5.24

  1,2,3,6-Tetrahydrophthalic anhydride (1) was used as a precursor for the synthesis of new cyclic imides by reacting with several reagents such as 2-aminothiazole, 4-aminopyridine, 2-aminobenzothiazole, cyanoacetic acid hydrazide, amino guanidine, 2,2-diaminomalononitrile, hexamethylenediamine or 2-(amino-ethyldisulfanyl)-ethylamine where the corresponding cyclic imides 2-9 were obtained respectively. Similarly, a series of tetrahydroquinazolin-2,4-diones 11-20 have been synthesized from the reaction of 2-phenylsulphonyloxy-3a,4,7,7a-tetrahydroisoindol-1,3-dione 10 with different amino compounds as hetero-amines, amino acids, and diamines. The proposed structures of the synthesized compounds were supported by their elemental and spectral analyses as well as their semiempirical MOPAC calculations. Semiempirical MOPAC calculations have been also performed to uncover the fundamental reaction pathway of the anhydride 1 with 4-aminopyridine as a model reaction and compound 10 with different amino compounds. The in vitro study of some selected imides and quinazolin-2,4-dinoes against two strains of bacteria possesses a high inhibition effect.

  以 1,2,3,6-四氢邻苯二甲酸酐（1）为前体，通过与多种试剂（如 2-氨基噻唑、4-氨基吡啶、2-氨基苯并噻唑、氰乙酸酰肼、氨基胍、2,2-二氨基丙二腈、六甲基二胺或 2-（氨基乙基二硫酰）-乙胺）反应，合成了新的环状亚胺，并分别得到了相应的环状亚胺 2-9。同样，2-苯基磺酰氧基-3a,4,7,7a-四氢异吲哚-1,3-二酮 10 与不同的氨基化合物如杂胺、氨基酸和二胺反应，合成了一系列四氢喹唑啉-2,4-二酮 11-20。合成化合物的元素分析、光谱分析以及半经验澳门巴黎人娱乐场计算都支持了这些化合物的拟议结构。此外，还进行了半经验 MOPAC 计算，以揭示酸酐 1 与 4- 氨基吡啶（作为模型反应）以及化合物 10 与不同氨基化合物的基本反应途径。体外研究发现，一些选定的酰亚胺和喹唑啉-2,4-二酮对两种菌株具有很强的抑制作用。
• Oxidation of molecules containing two tetraalkylhydrazine units
  作者：Stephen F. Nelsen、Mark R. Willi、John M. Mellor、Neil M. Smith

  DOI：10.1021/jo00361a028

  日期：1986.5
• H₂N(CH₂CH₂)₂NH₂[(VO)₄(H₂O)₄(HPO₄)₂(PO₄)₂]:  An Organically Templated Vanadium Phosphate with One Dimensional {VOVO} Chains
  作者：Victoria Soghomonian、Robert C. Haushalter、Jon Zubieta、Charles J. O'Connor

  DOI：10.1021/ic941486l

  日期：1996.1.1

  The new vanadium phosphate H2N(CH2CH2)(2)NH2[(VO)(4)(H2O)(4)(HPO4)(2)(PO4)(2)], (1), was prepared from the reaction of VCl4:H3PO4:1,4-diaminopiperazine hydrochloride:tetra-n-buytlammonium hydroxide:H2O in a mole ratio of 1:8.9:4.4:5.2:2268 in a sealed glass tube for 3 h at 200 degrees C. Phosphate 1 crystallizes in the acentric monoclinic space group Im with a = 7.025(1), b = 9.470(2), and c = 16.570(3)Angstrom, beta = 96.03(3)degrees, V = 1096.3 (6) Angstrom(3), Z = 2, and R (R(W)) = 0.0517 (0.0595) and possesses a three dimensional (3-D) covalently bonded structure comprised of a vanadium phosphate net with occluded organic cations occupying tunnels within the oxide framework. The structure can be qualitatively described as a severely defected VOPO4 structure type, with phosphate 1 displaying several different VO6 environments that can be envisioned as related to the infinite O=V ... O}(n) strings present in VOPO4: (a) infinite 1-D chains of VO6 octahedra sharing opposite vertices with the remaining four vertices connected to PO4} tetrahedra just as in VOPO4; (b) 1-D chains as in point a but with every other octahedron missing with the distorted octahedral coordination requirements satisfied by the addition of an aquo ligand trans to the V=O group; (c) 1-D chains as in point a but with every other one missing and each V atom coordinated to three aquo ligands; (d) a region that would be occupied by a 1-D chain in VOPO4 but is totally missing and is occupied by the organic dication. As a result, some of the PO4} tetrahedra are either absent or possess P-OH groups to compensate for the missing V atoms.
• Dinitramide and its salts
  作者：O. A. Luk'yanov、A. R. Agevnin、A. A. Leichenko、N. M. Seregina、V. A. Tartakovsky

  DOI：10.1007/bf00696969

  日期：1995.1

  The methods for preparation and the properties of dinitramide salts with ammonia, hydrazine, hydroxylamine, formamidine, their alkylated and aminated derivatives, etc. are described.