N¹,N³-bis(furan-2-ylmethyl)propane-1,3-diamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N¹,N³-bis(furan-2-ylmethyl)propane-1,3-diamine
• 英文别名: N,N'-bis(furan-2-ylmethyl)propane-1,3-diamine
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: YYPXZKMLNNLCDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  50.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N¹,N³-bis(furan-2-ylmethyl)propane-1,3-diamine 在 六氯环三磷腈 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以82 %的产率得到2,2,4,4-tetrachloro-7,11-bis(furan-2-ylmethyl)-1,3,5,7,11-pentaaza-2λ⁵,4λ⁵,6λ⁵-triphospha-spiro[5.5]undeca-1(6),2,4-triene
  参考文献：
  名称：

  双(2-呋喃基甲基)单螺(N/N)环三磷腈：合成、结构表征、抗增殖和抗迁移活性研究

  摘要：

  在本研究中，六氯环三磷腈 N3P3Cl6 (HCCP) 与 N1,N3-双(呋喃-2-基甲基)-1,3-二氨基-丙烷 (1) 发生缩合反应，生成四氯双(2-呋喃基-甲基)单螺(。 ..

  DOI：

  10.1080/10426507.2023.2242995
• 作为产物：
  描述：

  (N¹E,N³E)-N¹,N³-bis(furan-2-ylmethylene)propane-1,3-diamine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以91 %的产率得到N¹,N³-bis(furan-2-ylmethyl)propane-1,3-diamine
  参考文献：
  名称：

  噻吩和呋喃基衍生的 C2 对称配体的 Zn(II) 配合物的脲酶抑制和抗利什曼病特性

  摘要：

  摘要 一系列 Zn(II) 配合物 ( 1 - 4 ) 由苯硫基和呋喃基衍生的N , N -二胺配体L 1 -L 4支持，其中L 1 = 2,2-二甲基- N 1 ,N 3 -双(噻吩-2-基甲基)丙烷-1,3-二胺，L 2 = N 1 ,N 3 -双(噻吩-2-基甲基)丙烷-1,3-二胺，L 3 = N 1 , N 3 -双(呋喃-2-基甲基)-2,2-二甲基丙烷-1,3-二胺，和L合成并表征了4 = N 1 , N 3 -双(呋喃-2-基甲基)丙烷-1,3-二胺。2和4的结构研究揭示了 Zn(II) 中心周围扭曲的四面体几何形状。合成的配体及其相应的 Zn(II) 配合物在体外测试了对刀豆脲酶（JB 脲酶）和巴氏杆菌脲酶（BP 脲酶）的脲酶抑制潜力。具有噻吩悬垂部分的复合物2对 JB 脲酶 (IC 50= 5.5 ± 0.15 μM) 和 BP 脲酶 (IC50 = 6.0 ± 0.12

  DOI：

  10.1080/00958972.2022.2143269

文献信息

• N-functionalized azolin-2-ylidene-palladium-catalyzed heck reaction
  作者：Ismail Özdemir、Nevin Gürbüz、Yetkin Gök、Bekir Çetinkaya

  DOI：10.1002/hc.20415

  日期：2008.1

  2a–c) as N-heterocyclic carbene precursors have been synthesized and characterized. The incorporation of saturated N-heterocyclic carbenes into palladium precatalysts gives high-catalyst activity in the Heck coupling of aryl bromide substrates in aqueous media. The complexes were generated in the presence of Pd(OAc)2 by in situ deprotonation of 1,3-dialkylazolinium salts 1, 2. © 2008 Wiley Periodicals,

  新型 1,3-二烷基咪唑啉鎓、1,3-二烷基-3,4,5,6-四氢嘧啶鎓和 1,3-二烷基-1H-4,5,6,7-四氢二氮杂鎓六氟磷酸盐 (1a–c, 2a–c ) 作为 N-杂环卡宾前体的合成和表征。将饱和的 N-杂环卡宾掺入钯预催化剂中，在水介质中芳基溴底物的 Heck 偶联中具有高催化剂活性。这些配合物是在 Pd(OAc)2 存在下通过 1,3-二烷基唑啉盐 1、2 的原位去质子化生成的。 © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:82–86, 2008; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20415
• EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES
  申请人：Herrmann Andreas

  公开号：US20140038873A1

  公开（公告）日：2014-02-06

  The present invention concerns a dynamic mixture obtained by combining, in the presence of water, at least one diamine derivative, comprising at least one heteroaryl moiety, with at least two perfuming aldehydes and/or ketones. The invention's mixture is capable of releasing in a controlled and prolonged manner said perfuming compounds, in particular perfuming ingredients, into the surrounding environment. The invention's dynamic mixture gives rise to a more evenly distributed positive effect for the release of the different carbonyl compounds which are part of the mixture than other examples reported in the prior art.

  本发明涉及一种动态混合物，该混合物是通过在水的存在下将至少一种含有至少一个杂环基团的二胺衍生物与至少两种香料醛和/或酮结合而获得的。本发明的混合物能够以受控和持久的方式释放所述香料化合物，特别是香料成分，进入周围环境。本发明的动态混合物产生的正效应分布更均匀，释放的不同羰基化合物比先前报告的其他示例更好。
• Understanding the lability of a trans bound pyridine ligand in a saturated six-membered N-heterocyclic carbene based (NHC)PdCl2(pyridine) type complex: A case study
  作者：Anuj Kumar、Madanakrishna Katari、Prasenjit Ghosh

  DOI：10.1016/j.poly.2012.08.038

  日期：2013.3

  The lability of a trans "throwaway" pyridine ligand in a PEPPSI (Pyridine Enhanced Precatalyst Preparation, Stabilization and Initiation) themed saturated six-membered N-heterocyclic carbene complex namely, (1,3-difurfuryl tetrahydropyrimidin-2-ylidene)PdCl2(pyridine) (2), was investigated with the aid of a combined experimental and computational studies. In this regard, a new saturated six-membered N-heterocyclic carbene complex 2 was synthesized from the reaction of 1,3-difurfuryl tetrahydropyrimidin-1-ium chloride (I) with PdCl2 in the presence of KN(SiMe3)(2) as a base in pyridine. Significantly enough, the complex 2 represents the first structurally characterized example of a PEPPSI themed trans-(NHC)PdX2(pyridine) (X = halide) type of a complex supported over a saturated six-membered N-heterocyclic carbene ligand. The lability of a trans "throwaway" pyridine ligand in 2 was probed by a displacement reaction with PPh3 to yield the corresponding phosphine analog, (1,3-difurfuryl tetrahydropyrimidin-2-ylidene)PdCl2(PPh3) (3), at room temperature under ambient condition. Detailed density functional theory (DFT) studies aimed at understanding the lability of the trans "throwaway" pyridine ligand in 2, against a PPh3 ligand yielding 3, points towards a kinetic factor rather than a thermodynamic one as a reason for the lability of the pyridine in 2. (C) 2012 Elsevier Ltd. All rights reserved.
• US9212335B2
  申请人：——

  公开号：US9212335B2

  公开（公告）日：2015-12-15
• [EN] EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES<br/>[FR] MÉLANGES DYNAMIQUES ÉQUILIBRÉS POUR CONTRÔLER LA LIBÉRATION D'ALDÉHYDES ET DE CÉTONES ODORANTS
  申请人：FIRMENICH & CIE

  公开号：WO2012139912A1

  公开（公告）日：2012-10-18

  The present invention concerns a dynamic mixture obtained by combining, in the presence of water, at least one diamine derivative, comprising at least one heteroaryl moiety, with at least two perfuming aldehydes and/or ketones. The invention's mixture is capable of releasing in a controlled and prolonged manner said perfuming compounds, in particular perfuming ingredients, into the surrounding environment. The invention's dynamic mixture gives rise to a more evenly distributed positive effect for the release of the different carbonyl compounds which are part of the mixture than other examples reported in the prior art.