2-氯-3-[[3-(二甲基氨基)丙基]氨基]-1,4-萘醌 | 22272-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-氯-3-[[3-(二甲基氨基)丙基]氨基]-1,4-萘醌
• 英文名称: 2-chloro-3-((3-(dimethylamino)propyl)amino)naphthalene-1,4-dione
• 英文别名: 1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)-；2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione
• CAS: 22272-09-9
• 化学式: C₁₅H₁₇ClN₂O₂
• 分子量: 292.765
• InChiKey: FLTZGMPLSGEVAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  2-氯-3-[[3-(二甲基氨基)丙基]氨基]-1,4-萘醌 在 四丁基氟化铵 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  长寿花样配体及其具有极化NH相互作用基序的过渡金属配合物的比色传感和阴离子识别

  摘要：

  摘要 在此我们报告了用长寿花状配体 L ( 2-chloro-3-((3-二甲氨基) 丙基氨基)naphthalene-1,4-dione) 和它的金属 (K1-Cu(II )、K2-Co(II)、K3-Zn(II)) 络合物。用显微和光谱技术研究了 L 和 K1-K3 化合物的形态和阴离子传感特性。进行 1 H NMR 滴定以了解氟离子与配体及其金属配合物的 NH 相互作用位点的相互作用。此外，进行了量子化学计算以使化学传感器和阴离子之间的相互作用合理化。

  DOI：

  10.1016/j.molstruc.2020.129701
• 作为产物：
  描述：

  在 paraquat dichloride 、 异丙醇 作用下， 以 水 为溶剂， 生成 2-氯-3-[[3-(二甲基氨基)丙基]氨基]-1,4-萘醌
  参考文献：
  名称：

  连接的紫精醌分子中的电子转移：速率常数随链长的增加而增强

  摘要：

  We synthesized a homologous series of molecules (MVnnQ) where a methylviologen (MV) and a aminochloronaphthoquinone (Q) are linked to each other via a flexible chain. Using the electron pulse radiolysis technique, we have measured time-resolved spectra and rate constant for intra- and intermolecular electron transfer between donor and acceptor site of the MVnnQ molecules in water and in SDS micellar solution. For comparison, we also irradiated a solution containing a 1:1 mixture of methylviologen and aminochloronaphthoquinone and measured spectra and intermolecular ET reactions between the separated electron donor and acceptor molecules. The intramolecular electron transfer rate constants of all MVnnQ molecules were surprisingly low both in water and in aqueous SDS micellar suspension. The intramolecular rate constants measured in water increase with increasing number of intervening bonds, leading to the conclusion that electron transfer occurs by a through-space rather than through-bond mechanism. The intramolecular rate constants virtually lose their chain length dependence in SDS suspensions where because of an extended configuration of the micellized MVnnQ molecules through-space interaction is not favored.

  DOI：

  10.1021/j100181a036

文献信息

• 미세조류 파괴용 조성물
  申请人：Industry-Academic Cooperation Foundation, Chosun University 조선대학교산학협력단(220050171903) BRN ▼408-82-13419

  公开号：KR101761848B1

  公开（公告）日：2017-07-26

  본 발명은 미세조류 파괴용 조성물에 관한 것으로, 더욱 자세하게는 특정 치환기를 가지는 나프토퀴논 화합물을 함유하는 미세조류 파괴용 조성물에 관한 것이다. 본 발명에 따른 신규한 미세조류 파괴용 조성물은 해양 미세조류 배양장 또는 녹조 또는 적조가 발생된 지역 또는 녹조나 적조 발생 예상 지역에 처리하여 녹조 및 적조 피해를 예방할 수 있는 효과가 있다.

  本发明涉及微藻破坏用配方，更具体地涉及含有特定取代基的萘酮化合物的微藻破坏用配方。根据本发明，新型微藻破坏用配方可在海洋微藻培养场或发生褐藻或红藻的区域或预计发生褐藻或红藻的区域进行处理，以预防褐藻和红藻的损害。
• Dichloro-naphthoquinone as a non-classical inhibitor of the mycobacterial carbonic anhydrase Rv3588c
  作者：M. A. Dallaston、S. Rajan、J. Chekaiban、M. Wibowo、M. Cross、M. J. Coster、R. A. Davis、A. Hofmann

  DOI：10.1039/c7md00090a

  日期：——

  mycobacterial carbonic anhydrases Rv3588c and Rv1284 belong to a different class of carbonic anhydrases than those found in humans, making them attractive drug targets by using the inherent differences in the folds of the different classes. By screening a natural product library, we identified naphthoquinone derivatives as a novel non-classical inhibitor scaffold of mycobacterial carbonic anhydrases that lack

  可溶性分枝杆菌碳酸酐酶Rv3588c和Rv1284与人类发现的碳酸酐酶属于不同类别，通过利用不同类别折叠的内在差异使它们成为有吸引力的药物靶标。通过筛选天然产物库，我们将萘醌衍生物鉴定为分枝杆菌碳酸酐酶的新型非经典抑制剂支架，该支架缺少磺酰胺/氨基磺酸酯基团，因此不影响人类碳酸酐酶II。
• Colorimetric sensing and anion recognition by Kalanchoe flower-like ligand and its transition metal complexes with polarized N-H interaction motifs
  作者：A. Kosiha、M. Devendiran、K. Krishna Kumar、R.A. Kalaivani

  DOI：10.1016/j.molstruc.2020.129701

  日期：2021.3

  flower-like ligand, L ( 2‑chloro‑3‑((3‑dimethylamino)propylamino)naphthalene‑1,4‑dione) and it's metal (K1-Cu(II), K2-Co(II), K3-Zn(II)) complexes. The morphology and anion sensing properties of the L and K1-K3 compounds were investigated with microscopic and spectroscopic techniques. 1H NMR titration was carried out to understand the fluoride ion interaction with the N-H interacting site of the ligand and

  摘要 在此我们报告了用长寿花状配体 L ( 2-chloro-3-((3-二甲氨基) 丙基氨基)naphthalene-1,4-dione) 和它的金属 (K1-Cu(II )、K2-Co(II)、K3-Zn(II)) 络合物。用显微和光谱技术研究了 L 和 K1-K3 化合物的形态和阴离子传感特性。进行 1 H NMR 滴定以了解氟离子与配体及其金属配合物的 NH 相互作用位点的相互作用。此外，进行了量子化学计算以使化学传感器和阴离子之间的相互作用合理化。
• Electron transfer in linked viologen-quinone molecules: rate constant enhancement with increased chain length
  作者：A. M. Brun、S. M. Hubig、M. A. J. Rodgers、W. H. Wade

  DOI：10.1021/j100181a036

  日期：1992.1

  We synthesized a homologous series of molecules (MVnnQ) where a methylviologen (MV) and a aminochloronaphthoquinone (Q) are linked to each other via a flexible chain. Using the electron pulse radiolysis technique, we have measured time-resolved spectra and rate constant for intra- and intermolecular electron transfer between donor and acceptor site of the MVnnQ molecules in water and in SDS micellar solution. For comparison, we also irradiated a solution containing a 1:1 mixture of methylviologen and aminochloronaphthoquinone and measured spectra and intermolecular ET reactions between the separated electron donor and acceptor molecules. The intramolecular electron transfer rate constants of all MVnnQ molecules were surprisingly low both in water and in aqueous SDS micellar suspension. The intramolecular rate constants measured in water increase with increasing number of intervening bonds, leading to the conclusion that electron transfer occurs by a through-space rather than through-bond mechanism. The intramolecular rate constants virtually lose their chain length dependence in SDS suspensions where because of an extended configuration of the micellized MVnnQ molecules through-space interaction is not favored.