2-(((2-hydroxypropyl)imino)methyl)-6-methoxyphenol | 116779-20-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(((2-hydroxypropyl)imino)methyl)-6-methoxyphenol
• 英文别名: 2-(2-Hydroxypropyliminomethyl)-6-methoxyphenol
• CAS: 116779-20-5
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: IEKMYMGRYHSNTD-UHFFFAOYSA-N

物化性质

• 沸点：
  354.3±42.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(((2-hydroxypropyl)imino)methyl)-6-methoxyphenol 、 zinc(II) acetate dihydrate 在 4,4'-bipyridine 作用下， 以 甲醇 、 乙醇 为溶剂， 以43%的产率得到dizinc(II) 2-((2-hydroxypropylimino)-methyl)-6-methoxyphenolate triacetate
  参考文献：
  名称：

  Synthesis, crystal structures and fluorescence studies of three new Zn(II) complexes with multidentate Schiff base ligands

  摘要：

  Three new zinc(II) complexes Zn(L-1)(2) (1), Zn2L2(OAc)(3) (2) and Zn2L3(OAc)(3) (3) have been synthesized by using Zn(OAc)(2)center dot 2H(2)O and potentially multidentate Schiff base ligands HL1 (2-((1-hydroxybutan-2-ylimino)methyl)-6-methoxyphenol), HL2 (2-((1-hydroxy-2-methyl-propan-2-ylimino)methyl)-6-methoxy phenol) and HL3 (2((2-hydroxypropylimino)-methyl)-6-methoxyphenol), respectively. These Schiff base ligands are the condensation product of o-vanillin and corresponding amino alcohols. All the three complexes 1, 2 and 3 have been characterized by elemental analysis. IR, single crystal X-ray diffraction and fluorescence studies. Structural studies reveal that 1 is a mononuclear complex whereas in dinuclear complexes 2 and 3 the two Zn(II) centers are held together by deprotonated Schiff base ligands and acetates. All the synthesized complexes display intraligand (pi ->pi) fluorescence and can potentially serve as photoactive materials. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.11.027
• 作为产物：
  描述：

  邻香草醛 、 异丙醇胺 以 甲醇 为溶剂， 生成 2-(((2-hydroxypropyl)imino)methyl)-6-methoxyphenol
  参考文献：
  名称：

  一系列由单叠氮基，二叠氮基和三折叠氮基桥接的三角双锥体[NaMnIIMnIII3]亚基衍生的一系列[Na2MnII2MnIII6]簇：合成，晶体结构和磁性

  摘要：

  摘要一系列由单叠氮基，叠氮基和叠氮基Na [Na2MnII2MnIII6（μ3-O）2（HL1）6（μ1,3-N3）（）桥接的三角双锥体[NaMnIIMnIII3]亚基衍生的一系列[Na2MnII2MnIII6]簇HCOO）8（H2O）2]（ClO4）2（1），[Na2MnII2MnIII6（μ3-O）2（L2）6（μ1,1-N3）4（μ1,3-N3）2（N3）2（CH3OH） ）2]（2）和[Na2MnII2MnIII6（μ3-O）2（L3）6（μ1,1-N3）7（N3）2（H2O）2]（3）是通过不同电位的自组装获得的在空气-水-甲醇溶液中与二价锰盐形成多齿席夫碱配体和辅助配体（叠氮化物离子和甲酸盐离子）。通过元素分析，FT-IR光谱和单晶X射线衍射分析对1、2和3的结构进行了表征。晶体结构表明，所有三个相似的有趣的十核簇[Na2MnII2MnIII6]分别来自由单，双和三折叠氮化物基团桥接的双三角双锥体亚基。在2–300

  DOI：

  10.1016/j.poly.2018.12.007

文献信息

• Octanuclear Ni ₄ Ln ₄ Coordination Aggregates from Schiff Base Anion Supports and Connecting of Two Ni ₂ Ln ₂ Cubes: Syntheses, Structures, and Magnetic Properties
  作者：Mousumi Biswas、E. Carolina Sañudo、Debashis Ray

  DOI：10.1002/asia.202000679

  日期：2020.9

  [Ni2Ln2(HL)2(μ3‐OH)2(OH)(OAc)4]+ (Ln=Gd (1), Tb (2), Dy (3), Ho (4) and Yb (5)). Higher coordination demand of 4f ions induced the coupling of the two cubes by (OH)(OAc)2 bridges. Variable temperature magnetic study reveals weak coupling between the Ni2+ and Ln3+ ions. For the Tb (2) and Dy (3) analogs, the compounds are SMMs without an applied dc field, whereas the Gd (1) analogue is not an SMM. The observation

  3D-4F聚集体的家族已经通过引导配体阴离子的双配位模式报告（HL - ）和原位朝向两种不同类型的金属离子的产生辅助驱动桥自组装协调响应。硝酸镧系元素（III）（Ln = Gd，Tb，Dy，Ho和Yb），乙酸镍（II）和2-[（（2-羟丙基）亚氨基}甲基] -6]的酚基对位配体阴离子的反应MeCN-MeOH（3：1）混合物中的甲氧基苯酚（H 2 L）和LiOH从两个Ni 2 Ln 2提供了五种新的八核Ni-4f配位聚集体古巴。X射线单晶衍射分析表明，该族的所有成员都是同构的，中心核是由两个扭曲的[Ni 2 Ln 2 O 4 ]杂金属古巴[Ni 2 Ln 2（HL）2（μ 3 -OH）2（OH）（OAc）4 ] +（Ln为钆（1），TB（2），镝（3），浩（4）和Yb（5））。对4f离子的更高配位要求导致（OH）（OAc）2耦合两个立方体桥梁。可变温度磁研究揭示了Ni 2+和Ln 3+离子
• UV-assisted photochemical transformation of a tetranuclear copper(ii) complex: a DFT supported study on β-lactamase inhibitory activity towards antibiotic resistance
  作者：Sneha Biswas、Suhana Karim、Pradip Bhunia、Soumadip Banerjee、Abhijit K. Das、Debasis Das

  DOI：10.1039/d4dt00357h

  日期：——

  that the rate of nitrocefin hydrolysis is greatly inhibited in the presence of external chloride concentration. To the best of our knowledge, this is the first report on the photochemical behavior of such a tetranuclear copper(II) Schiff base complex. Our current interest is focused on inventing a potent β-lactamase inhibitory therapeutic as well as elucidating its mechanism through comprehensive chemical

  在此，我们提出了一种使用 N,N,O 供体配体的深绿色结晶四核 Cu( II ) 希夫碱配合物 C1 = [Cu 4 L 4 ](ClO 4 ) 4 (DMF) 4 (H 2 O)} ( HL )，即2-(((2-羟丙基)亚氨基)甲基)-6-甲氧基苯酚。对这种配位饱和系统的类β-内酰胺酶活性的分光光度研究揭示了其对作为模型底物的硝基头孢菌素水解的催化效率低下。该配合物作为一种有前途的光催化剂引起了人们的极大兴趣，因为它具有根据 DFT 计算预测的窄带隙 (2.40 eV) 以及对紫外光的更高响应度。因此，在空穴清除剂（H 2 O-MeOH）存在下，在长时间的紫外线照射下， C1有效地参与了高氯酸盐光催化还原为Cl - ，并且自身发生光裂解，产生新的深棕色氯桥双核晶体配合物C2 [CuL(H 2 O) 2 Cl 3 ]H 2 O}。此外， C2被用作功能性 β-内酰胺酶模型，并被发现在
• Tuning nuclearity of clusters by positional change of functional group: Synthesis of polynuclear clusters, crystal structures and magnetic properties
  作者：Bappaditya Gole、Kartik Chandra Mondal、Partha Sarathi Mukherjee

  DOI：10.1016/j.ica.2014.02.017

  日期：2014.5

  Four neutral polynuclear magnetic clusters, [(Mn6Mn2Na2I)-Mn-III-Na-II(N-3)(8)(mu(1)-O)(2)(L-1)(6)(CH3OH)(2)] (1), [(Mn6Na2I)-Na-III(N-3)(4)(mu(4)-O)(2)(L-2)(4)(CH3COO)(4)] (2), [Ni-5(II)(N-3)(4)(HL1)(4)(HCOO)(2)(CH3OH)(2)(H2O)(2)]center dot 2CH(3)OH (3) and [(Ni4Na2I)-Na-II(N-3)(4)(HL2)(6)]center dot 2CH(3)OH (4) have been synthesized using tetradentate ligands H2L1-2 along with azide as a co-ligand. H2L1-2 are the products formed in situ upon condensation of 2-hydroxy-3-methoxybenzaldehyde with 1-aminopropan-2-ol and 1-aminopropan-3-ol, respectively. Single crystal X-ray diffraction and bond valence sum calculation showed that complex 1 is composed of both Mn-III and Mn-II. Complex 3 contains coordinated formate, which was formed upon in situ oxidation of methanol. The magnetic study over a wide range of temperatures of all the complexes (1-4) showed that 1 and 2 are antiferromagnetic whereas other two (3-4) are predominantly ferromagnetic. The estimated ground states of the complexes are S approximate to 3(1), S = 4(2), S = 5(3) and S approximate to 4(4), respectively. (C) 2014 Elsevier B.V. All rights reserved.