4,4'-(cycloheptane-1,1-diyl)bis(2,6-dimethylphenol) | 890017-85-3

• 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: 4,4'-(cycloheptane-1,1-diyl)bis(2,6-dimethylphenol)
• 英文别名: 4-[1-(4-Hydroxy-3,5-dimethylphenyl)cycloheptyl]-2,6-dimethylphenol
• CAS: 890017-85-3
• 化学式: C₂₃H₃₀O₂
• 分子量: 338.49
• InChiKey: DPAZJKRTSGGUPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-(cycloheptane-1,1-diyl)bis(2,6-dimethylphenol) 、 环氧氯丙烷 在 四丁基溴化铵 、 potassium hydroxide 作用下， 反应 12.0h， 以95%的产率得到2,2'-(4,4'-(cycloheptane-1,1-diyl)bis(2,6-dimethyl-4,1-phenylene))bis(oxy)bis(methylene)dioxirane
  参考文献：
  名称：

  Structural Optimization and Biological Evaluation of Substituted Bisphenol A Derivatives as β-Amyloid Peptide Aggregation Inhibitors

  摘要：

  The aggregation of A beta is a crucial step in the etiology of Alzheimer's disease. Our previous work showed that A beta undergoes alpha-helix/beta-sheet intermediate structures during the conformational transition, and an A beta aggregation inhibitor (1) was discovered by targeting the intermediates. Here, structure optimization toward compound 1 was performed and 34 novel derivatives were designed and synthesized. Nine compounds showed more effective inhibitory activity than the hit compound 1 in ThT fluorescence assay. Among them, compound 43 demonstrated more excellent inhibitory potency, which not only can suppress the aggregation of A beta but also can dissolve the preformed fibrils as shown by CD spectroscopy, PICUP and AFM assays. Cellular assay indicated that 43 has no toxicity to neuronal cells, moreover, can effectively inhibit A beta(1-42)-induced neutrotoxicity and increase the cell viability. Together, on the basis of these positive results, these novel chemical structures may provide a promising potential for therapeutic applications in AD and other types of neurodegenerative disorders.

  DOI：

  10.1021/jm1000584
• 作为产物：
  描述：

  2,6-二甲基苯酚 、 环庚酮 在 硫酸 、 溶剂黄146 作用下， 以40%的产率得到4,4'-(cycloheptane-1,1-diyl)bis(2,6-dimethylphenol)
  参考文献：
  名称：

  Structural Optimization and Biological Evaluation of Substituted Bisphenol A Derivatives as β-Amyloid Peptide Aggregation Inhibitors

  摘要：

  The aggregation of A beta is a crucial step in the etiology of Alzheimer's disease. Our previous work showed that A beta undergoes alpha-helix/beta-sheet intermediate structures during the conformational transition, and an A beta aggregation inhibitor (1) was discovered by targeting the intermediates. Here, structure optimization toward compound 1 was performed and 34 novel derivatives were designed and synthesized. Nine compounds showed more effective inhibitory activity than the hit compound 1 in ThT fluorescence assay. Among them, compound 43 demonstrated more excellent inhibitory potency, which not only can suppress the aggregation of A beta but also can dissolve the preformed fibrils as shown by CD spectroscopy, PICUP and AFM assays. Cellular assay indicated that 43 has no toxicity to neuronal cells, moreover, can effectively inhibit A beta(1-42)-induced neutrotoxicity and increase the cell viability. Together, on the basis of these positive results, these novel chemical structures may provide a promising potential for therapeutic applications in AD and other types of neurodegenerative disorders.

  DOI：

  10.1021/jm1000584

文献信息

• DUAL FUNCTIONAL POLY(ARYLENE ETHER) COMPOUNDS
  申请人：SABIC Global Technologies B.V.

  公开号：EP3514195A1

  公开（公告）日：2019-07-24

  A capped poly(arylene ether) copolymer having the formula or wherein Y is a divalent linking group of the formula each occurrence of D is independently a group of the formula each occurrence of Z is independently of the formula and Q1a, Q1b, R1, R2, R3, R4, R5, z, x, y, e, Ra, Rb, Rc, Rd, Re, Wa, R, R', and m are as defined herein.

  一种封端聚芳基醚共聚物，其分子式为 或 其中 Y 是式中的二价连接基团 每个 D 的出现都是独立的式中基团 每个 Z 的出现都独立地属于式中的基团 和 Q1a、Q1b、R1、R2、R3、R4、R5、z、x、y、e、Ra、Rb、Rc、Rd、Re、Wa、R、R'和 m 如本文所定义。
• CURABLE EPOXY COMPOSITION AND CIRCIUT MATERIAL PREPREG, THERMOSET EPOXY COMPOSITION, AND ARTICLE PREPARED THEREFROM
  申请人：SABIC Global Technologies B.V.

  公开号：EP3567066A1

  公开（公告）日：2019-11-13

  A curable epoxy composition includes an epoxy resin, a hydroxyl-terminated polyphenylene ether, and an oligomeric aromatic organophosphate ester flame retardant, wherein at least 60% of the oligomeric aromatic organophosphate ester flame retardant includes at least two hydroxy terminal groups, and the amount of each component of the composition is specified herein. The composition can be particularly useful in circuit material prepregs, thermoset epoxy compositions, and various articles. A method for the manufacture of a thermoset composition is also described.

  一种可固化环氧组合物包括环氧树脂、羟基端基聚苯醚和低聚芳香族有机磷酸酯阻燃剂，其中至少 60% 的低聚芳香族有机磷酸酯阻燃剂包括至少两个羟基端基，组合物中各组分的用量在此具体说明。该组合物尤其适用于电路材料预浸料、热固性环氧树脂组合物和各种物品。此外，还描述了一种制造热固性组合物的方法。
• Dual functional poly(arylene ether) compounds
  申请人：SABIC GLOBAL TECHNOLOGIES B.V.

  公开号：US10662288B2

  公开（公告）日：2020-05-26

  A capped poly(arylene ether) copolymer having the formula wherein Y is a divalent linking group of the formula each occurrence of D is independently a group of the formula each occurrence of Z is independently of the formula and Q1a, Q1b, R1, R2, R3, R4, R5, z, x, y, e, Ra, Rb, Rc, Rd, Re, Wa, R, R′, and m are as defined herein.

  一种封端聚芳基醚共聚物，其分子式为 其中 Y 是式中的二价连接基团 每个 D 的出现都独立地属于式中的一个基团 每个 Z 的出现都独立于以下式子 和 Q1a、Q1b、R1、R2、R3、R4、R5、z、x、y、e、Ra、Rb、Rc、Rd、Re、Wa、R、R′ 和 m 如本文所定义。
• Poly(phenylene ether) copolymer process and compositions
  申请人：SHPP GLOBAL TECHNOLOGIES B.V.

  公开号：US11111336B2

  公开（公告）日：2021-09-07

  A poly(phenylene ether) copolymer of 2-methyl-6-phenylphenol and a dihydric phenol having an absolute number average molecular weight of 1,000 to 10,000 grams/mole is made by polymerization of 2-methyl-6-phenylphenol and a dihydric phenol in the presence of molecular oxygen, a polymerization catalyst comprising a metal ion and at least one amine ligand, and a solvent composed of at least 95 weight percent of a C1-C3 alcohol selected from methanol, ethanol, 1-propanol, and 2-propanol. The poly(phenylene ether) copolymer can be, for example, a copolymer of 2-methyl-6-phenylphenol, 2,2-bis(3,5-dimethyl-4-hydroxyphenol)propane, and optionally 2,6-dimethylphenol. The poly(phenylene ether) copolymer finds utility in curable compositions, cured compositions, and articles.

  2-甲基-6-苯基苯酚和二水合苯酚的绝对平均分子量为 1,000 至 10,000 克/摩尔的聚亚苯基醚共聚物，是由 2-甲基-6-苯基苯酚和二水合苯酚在分子氧、聚合催化剂（由金属离子和至少一种胺配位体组成）以及溶剂（由至少 95% 的选自甲醇、乙醇、1-丙醇和 2-丙醇的 C1-C3 醇组成）的存在下聚合而成。例如，聚亚苯基醚共聚物可以是 2-甲基-6-苯基苯酚、2,2-双（3,5-二甲基-4-羟基苯酚）丙烷和 2,6-二甲基苯酚的共聚物。这种聚（亚苯基醚）共聚物可用于固化组合物、固化组合物和物品。
• POLY(ARYLENE ETHER) COMPOSITION, METHOD, AND ARTICLE
  申请人：Sabic Innovative Plastics IP B.V.

  公开号：EP2061836A1

  公开（公告）日：2009-05-27