N-(2-ethylhexyl)-4-pyridinamine | 64690-39-7

• 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-(2-ethylhexyl)-4-pyridinamine
• 英文别名: 4-(2-Ethylhexylamino)-pyridin；(2-ethyl-hexyl)-pyridin-4-yl-amine；4-(2-ethylhexylamino)pyridine；N-(2-ethylhexyl)pyridin-4-amine
• CAS: 64690-39-7
• 化学式: C₁₃H₂₂N₂
• 分子量: 206.331
• InChiKey: YHQCHZODALNVAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  溴代异辛烷 、 N-(2-ethylhexyl)-4-pyridinamine 以81%的产率得到(2-Ethyl-hexyl)-[1-(2-ethyl-hexyl)-1H-pyridin-4-ylidene]-amine; hydrobromide
  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：

  2-乙基己酰氯 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 N-(2-ethylhexyl)-4-pyridinamine
  参考文献：
  名称：

  Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque

  摘要：

  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.

  DOI：

  10.1021/jm00377a014

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。
• 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：——
• US4107313A
  申请人：——

  公开号：US4107313A

  公开（公告）日：1978-08-15
• US4206215A
  申请人：——

  公开号：US4206215A

  公开（公告）日：1980-06-03