(4-methoxyphenyl)guanidine carbonate | 112677-02-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-methoxyphenyl)guanidine carbonate
• 英文别名: p-anisylguanidine；4-Methoxyphenylguanidine carbonate；carbonic acid;2-(4-methoxyphenyl)guanidine
• CAS: 112677-02-8
• 化学式: CH₂O₃*C₈H₁₁N₃O
• 分子量: 227.22
• InChiKey: SMTHXGAYMWGCBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.82
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-methoxyphenyl)guanidine carbonate 在 sodium hydride 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.33h， 生成 N-(N-(4-methoxyphenyl)carbamimidoyl)-3,5,6-trimethylpyrazine-2-carboxamide
  参考文献：
  名称：

  Ligustrazine Derivatives. Part 6: Design, Synthesis and Evaluation of Novel Ligustrazinyl Acylguanidine Derivatives as Potential Cardiovascular Agents

  摘要：

  A series of novel Ligustrazinyl acylguanidines was designed, synthesized and evaluated for their protective effect on injured vascular endothelial cell (ECV-304). The preliminary results demonstrated that some compounds possessed more potent activities than that of Ligustrazine in stimulating replication of the injured endothelial cell. Among the active compounds, compounds 8b, 8f and 8l displayed remarkable antioxidative activity with low EC50 values of 0.097, 0.059 and 0.094 mM, respectively. Structure-activity relationships were briefly discussed.

  DOI：

  10.2174/157340612802084243
• 作为产物：
  描述：

  N-isopropyl-N'-(4-methoxyphenyl)thiourea 在 盐酸 、 双氧水 、 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 生成 (4-methoxyphenyl)guanidine carbonate
  参考文献：
  名称：

  Joshua; Sujatha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 6, p. 575 - 577

  摘要：

  DOI：

文献信息

• Nucleophilic Substitution at the Guanidine Carbon Center via Guanidine Cyclic Diimide Activation
  作者：Taeyang An、Yan Lee

  DOI：10.1021/acs.orglett.1c03473

  日期：2021.12.3

  of the guanidine carbon centers, nucleophilic reactions at these sites have been underdeveloped because of the resonance stabilization of the guanidine group. We propose a guanidine C–N bond substitution strategy entailing the formation of guanidine cyclic diimide (GCDI) structures, which effectively destabilize the resonance structure of the guanidine group. In the presence of acid additives, the guanidine

  尽管胍碳中心具有缺电子性质，但由于胍基团的共振稳定性，这些位点的亲核反应尚未发展。我们提出了一种胍 C-N 键取代策略，该策略需要形成胍环二亚胺 (GCDI) 结构，从而有效地破坏胍基团的共振结构。在酸添加剂的存在下，GCDIs 的胍碳中心与各种胺和醇发生亲核取代反应。
• 4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines
  申请人：American Cyanamid Company

  公开号：US04788195A1

  公开（公告）日：1988-11-29

  This disclosure describes novel 4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines having anti-asthmatic activity.

  本披露描述了具有抗哮喘活性的新型4,5,6-取代-N-(取代苯基)-2-嘧啶胺。
• Compounds
  申请人：Adams Jerry Leroy

  公开号：US20080194561A1

  公开（公告）日：2008-08-14

  A compound of formula (I): compositions and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity.

  公式（I）的化合物：包含该化合物的组合物和药物，以及制备和使用这些化合物、组合物和药物的方法，特别是用于与不适当的极光活动有关的疾病。
• 4,5,6-Substituted-2-pyrimidinamines
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0233461A2

  公开（公告）日：1987-08-26

  This disclosure describes novel 4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines having anti-asthmatic activity.

  本公开介绍了具有抗哮喘活性的新型 4,5,6-取代-N-（取代苯基）-2-嘧啶胺。
• A Convenient Synthetic Method for Trisubstituted s-Triazines
  作者：Chen Chen、Raymond Dagnino、James R. McCarthy

  DOI：10.1021/jo00131a023

  日期：1995.12