N-nonyl-4-pyridinamine | 64690-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-nonyl-4-pyridinamine
• 英文别名: 4-Nonylamino-pyridin；nonyl-pyridin-4-yl-amine；4-(nonylamino)pyridine；N-nonylpyridin-4-amine
• CAS: 64690-27-3
• 化学式: C₁₄H₂₄N₂
• 分子量: 220.358
• InChiKey: LBUMIVUAXZFMCR-UHFFFAOYSA-N

物化性质

• 熔点：
  55-57 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  342.8±15.0 °C(Predicted)
• 密度：
  0.940±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氯己烷 、 N-nonyl-4-pyridinamine 以80%的产率得到1-hexyl-N-nonylpyridin-4-imine;hydrochloride
  参考文献：
  名称：

  In vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines

  摘要：

  A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against several other oral plaque-forming microorganisms and is presently undergoing preclinical evaluation.

  DOI：

  10.1021/jm00118a030
• 作为产物：
  描述：

  4-氨基吡啶 、 壬酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 、 三乙胺 、 lithium aluminium tetrahydride 作用下， 以 甲苯 、 二氯甲烷 、 四氢呋喃 为溶剂， 反应 11.0h， 生成 N-nonyl-4-pyridinamine
  参考文献：
  名称：

  Synthesis and biological evaluation of novel cyanuric acid-tethered tris-pyridinium derivatives

  摘要：

  DOI：

  10.1016/j.mencom.2021.04.028

文献信息

• Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes
  申请人：Sterling Drug Inc.

  公开号：US04206215A1

  公开（公告）日：1980-06-03

  Bis-[4-(R-amino)-1-pyridinium]alkanes are prepared by reacting a 4-(R-amino)pyridine with an appropriate disubstituted alkane. The compounds are useful as antimicrobial agents. Certain species are also useful as dental plaque-preventive agents.

  双[4-(R-氨基)-1-吡啶烷]脂肪烃是通过将4-(R-氨基)吡啶与适当的二取代脂肪烃反应来制备的。这些化合物作为抗菌剂很有用。某些物种作为牙齿菌斑预防剂也很有用。
• Synthesis and antibacterial activity of new dimeric pyridinium chlorides based on 2,2-bis(hydroxymethyl)propane-1,3-diyl spacer
  作者：A. N. Vereshchagin、K. A. Karpenko、M. P. Egorov

  DOI：10.1007/s11172-020-2808-5

  日期：2020.3

  New bispyridinium dichlorides based on 2,2-bis(hydroxymethyl)propane-1,3-diyl spacer were synthesized from pentaerythritol, 4-aminopyridine, and carboxylic acids. The resulting biocides possess a high antibacterial effect. The minimal inhibitory concentration (MIC) of these compounds against pathogenic bacteria, namely, gram-positive Methicillin-resistant Staphylococcus aureus (strain ATCC 25923) and

  由季戊四醇、4-氨基吡啶和羧酸合成了基于 2,2-双(羟甲基)丙烷-1,3-二基间隔基的新型双吡啶鎓二氯化物。所得杀生物剂具有高抗菌作用。这些化合物对病原菌，即革兰氏阳性耐甲氧西林金黄色葡萄球菌（菌株 ATCC 25923）和革兰氏阴性大肠杆菌（ATCC 25922）和铜绿假单胞菌（ATCC 27853）的最小抑菌浓度（MIC）已确定。研究了盐中烷基取代基长度对其微生物活性的影响。
• Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque
  作者：Denis M. Bailey、C. George DeGrazia、Stephanie J. Hoff、Patsy L. Schulenberg、John R. O'Connor、Donald A. Paris、Andrew McKenzie Slee

  DOI：10.1021/jm00377a014

  日期：1984.11

  A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study.
• BAILEY, D. M.;DEGRAZIA, C. G.;HOFF, S. J.;SCHULENBERG, P. L.;OCONNOR, J. +, J. MED. CHEM., 1984, 27, N 11, 1457-1464
  作者：BAILEY, D. M.、DEGRAZIA, C. G.、HOFF, S. J.、SCHULENBERG, P. L.、OCONNOR, J. +

  DOI：——

  日期：——
• WENTLAND, MARK P.;BAILEY, DENIS M.;POWLES, RONALD G.;SLEE, ANDREW M.;SEDL+, J. MED. CHEM., 31,(1988) N 10, C. 409
  作者：WENTLAND, MARK P.、BAILEY, DENIS M.、POWLES, RONALD G.、SLEE, ANDREW M.、SEDL+

  DOI：——

  日期：——