5-nonylbenzaldehyde | 475208-64-1

• 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: 5-nonylbenzaldehyde
• 英文别名: m-nonylbenzaldehyde；3-Nonylbenzaldehyde
• CAS: 475208-64-1
• 化学式: C₁₆H₂₄O
• 分子量: 232.366
• InChiKey: HOWBEOPFGUFJDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-nonylbenzaldehyde 以 乙醚 、 乙醇 、 乙腈 为溶剂， 反应 120.0h， 生成 2-[[2-[[2-Hydroxy-3-(morpholin-4-ylmethyl)-5-nonylphenyl]methylideneamino]phenyl]iminomethyl]-6-(morpholin-4-ylmethyl)-4-nonylphenol
  参考文献：
  名称：

  来自对位配体和过渡金属盐的超分子组装

  摘要：

  四齿的 水杨醛亚胺 配体的H 2沙仑型轴承邻- ñ -morpholinomethyl取代基用作双中心配体，用Salen单元的[N 2 O 2 ] 2−供体对和Ni II或Cu II键合硫酸盐 一两个 硝酸盐 带有质子化的阴离子 吗啉单位。金属盐通过两性离子形式的结合配体 提供了一种新颖的运输方式 金属硫酸盐在金属回收过程中。“自由”固态结构的比较配体一系列镍（II）配合物表明，金属离子模板是配体系统，定向的吗啉侧基在硫酸盐配合物中与二价阴离子形成静电和分叉的氢键，从而形成中性的1∶1∶1 [LM 2+ X 2− ]复数适用于萃取 进入 水 不混溶的 溶剂。其他结合方式包括通过阴离子与侧基吗啉基的结合来桥接金属配合物配体 也可以用来组装固态的不寻常的三维三维金属配合物阵列。

  DOI：

  10.1039/b003436n
• 作为产物：
  描述：

  1-壬炔 在 10percent Pd/C manganese oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 lithium aluminium tetrahydride 、 氢气 、 二异丙胺 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 28.0h， 生成 5-nonylbenzaldehyde
  参考文献：
  名称：

  Development of Novel EDG3 Antagonists Using a 3D Database Search and Their Structure−Activity Relationships

  摘要：

  Sphingosine-1-phosphate (SIP) is an intracellular second messenger and an extracellular mediator through endothelial differentiation gene (EDG) receptors, which are a novel class of G-protein-coupled receptors. Although EDG has attracted much attention because of its various roles, no selective agonists or antagonists have yet been developed. This could account for the delay in clarifying the physiological roles of members of the EDG family. Because precise structural information on EDG receptors is not yet available, pharmacophore models were generated based on structural information for SIP using the rational drug design software Catalyst. Novel antagonists, 2-alkylthiazolidine-4-carboxylic acids, were retrieved from a three-dimensional database search using the pharmacophore models, and these showed activity for EDG3. On the basis of their nonphosphoric acid structure, more potent antagonists, 2-(m- or p-heptylphenyl)thiazolidine-4-carboxylic acid, were developed.

  DOI：

  10.1021/jm020080c

文献信息

• Development of Novel EDG3 Antagonists Using a 3D Database Search and Their Structure−Activity Relationships
  作者：Yuuki Koide、Takeshi Hasegawa、Atsuo Takahashi、Akira Endo、Naoki Mochizuki、Masako Nakagawa、Atsushi Nishida

  DOI：10.1021/jm020080c

  日期：2002.10.1

  Sphingosine-1-phosphate (SIP) is an intracellular second messenger and an extracellular mediator through endothelial differentiation gene (EDG) receptors, which are a novel class of G-protein-coupled receptors. Although EDG has attracted much attention because of its various roles, no selective agonists or antagonists have yet been developed. This could account for the delay in clarifying the physiological roles of members of the EDG family. Because precise structural information on EDG receptors is not yet available, pharmacophore models were generated based on structural information for SIP using the rational drug design software Catalyst. Novel antagonists, 2-alkylthiazolidine-4-carboxylic acids, were retrieved from a three-dimensional database search using the pharmacophore models, and these showed activity for EDG3. On the basis of their nonphosphoric acid structure, more potent antagonists, 2-(m- or p-heptylphenyl)thiazolidine-4-carboxylic acid, were developed.
• Supramolecular assemblies from ditopic ligands and transition metal salts †
  作者：Hamish A. Miller、Norman Laing、Simon Parsons、Andrew Parkin、Peter A. Tasker、David J. White

  DOI：10.1039/b003436n

  日期：——

  salicylaldimine ligands of the H2salen-type bearing ortho-N-morpholinomethyl substituents function as ditopic ligands, bonding to NiII or CuII with the [N2O2]2− donor set of the salen unit and a sulfate or two nitrate anions with the protonated morpholine units. The binding of the metal salt by the zwitterionic form of the ligand provides a novel approach to the transport of metal sulfates in metal recovery

  四齿的 水杨醛亚胺 配体的H 2沙仑型轴承邻- ñ -morpholinomethyl取代基用作双中心配体，用Salen单元的[N 2 O 2 ] 2−供体对和Ni II或Cu II键合硫酸盐 一两个 硝酸盐 带有质子化的阴离子 吗啉单位。金属盐通过两性离子形式的结合配体 提供了一种新颖的运输方式 金属硫酸盐在金属回收过程中。“自由”固态结构的比较配体一系列镍（II）配合物表明，金属离子模板是配体系统，定向的吗啉侧基在硫酸盐配合物中与二价阴离子形成静电和分叉的氢键，从而形成中性的1∶1∶1 [LM 2+ X 2− ]复数适用于萃取 进入 水 不混溶的 溶剂。其他结合方式包括通过阴离子与侧基吗啉基的结合来桥接金属配合物配体 也可以用来组装固态的不寻常的三维三维金属配合物阵列。