(3,5-dimethylphenyl)(2,4-dihydroxyphenyl)methanone | 36419-35-9

• 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: (3,5-dimethylphenyl)(2,4-dihydroxyphenyl)methanone
• 英文别名: (2,4-Dihydroxyphenyl)-(3,5-dimethylphenyl)methanone
• CAS: 36419-35-9
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: LBIBPARGUPWKAG-UHFFFAOYSA-N

物化性质

• 熔点：
  158°C
• 沸点：
  458.5±34.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯甲酸 在 racemic-2-(di-tert-butylphosphino)-1,1′-binaphthyl 、 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 1,5-环辛二烯 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 (3,5-dimethylphenyl)(2,4-dihydroxyphenyl)methanone
  参考文献：
  名称：

  整合金属催化的 C-H 和 C-O 官能化以在芳烃酰化中实现空间控制的区域选择性

  摘要：

  有机金属化学家的一个主要目标是将有机分子中最常见的键直接官能化：CH、CC、CO 和 CN。当两种前体都属于此类时，更大的挑战是 CC 键的形成。与此并行的是实现与传统方法形成对比的反应选择性的合成目标。通过 Friedel-Crafts 酰化的亲电芳香取代 (EAS) 是合成芳基酮的最著名方法，芳基酮是许多药物、农用化学品、香料、染料和其他商品化学品的常见结构基序。然而，只有当所需的酰化位点与反应的电子控制区域选择性一致时，EAS 合成策略才有效。在此，我们报告了空间控制的区域选择性芳烃酰化与水杨酸酯通过铱催化获得明显取代的二苯甲酮。实验和计算数据表明，一种独特的反应机制将 CO 活化和 CH 活化与单一铱催化剂相结合，无需外源氧化剂或碱。我们公开了对芳烃和酯成分的合成范围的广泛探索，最终以简明的合成强效抗癌剂羟基苯司他汀。

  DOI：

  10.1021/jacs.8b06476

文献信息

• REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME
  申请人：THE PILOT INK CO., LTD.

  公开号：EP3950068A1

  公开（公告）日：2022-02-09

  [Problems] Provided are a highly marketable reversibly thermochromic composition that provides a black color during color development by using a fluoran derivative having a specific structure as an electron-donating color-developing organic compound, turns colorless during decoloration, and is excellent in contrast between a colored state and a decolored state and a microcapsule pigment encapsulating the same. [Solution] Disclosed are a reversibly thermochromic composition including: (a) a fluoran derivative having a specific structure as an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) a reaction medium which reversibly induces an electron transfer reaction between the component (a) and the component (b) in a specific temperature range, and a reversibly thermochromic microcapsule pigment encapsulating the same.

  [问题]提供了一种极具市场前景的可逆热致变色组合物，该组合物通过使用具有特定结构的芴衍生物作为电子捐赠显色有机化合物，在显色过程中提供黑色，在脱色过程中变成无色，并且在有色状态和脱色状态之间具有极佳的对比度，同时还提供了封装该组合物的微胶囊颜料。 [解决方案]本发明公开了一种可逆热变色组合物，包括：（a）具有特定结构的氟烷衍生物，作为电子捐赠显色有机化合物；（b）电子接受化合物；以及（c）反应介质，该介质可在特定温度范围内可逆地诱导组分（a）和组分（b）之间的电子转移反应，以及封装该组合物的可逆热变色微胶囊颜料。
• REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME
  申请人：Kabushiki Kaisha Pilot Corporation (also trading as Pilot Corporation)

  公开号：EP3954745A1

  公开（公告）日：2022-02-16

  Provided are a reversibly thermochromic aqueous ink composition having excellent writability and few problems such as aggregation of a colorant, an increase in viscosity of the composition, or a decrease in handwriting density, and a refill or an aqueous ballpoint pen using the reversibly thermochromic aqueous ink composition. A reversibly thermochromic composition is a reversibly thermochromic aqueous ink composition containing a reversibly thermochromic microcapsule pigment encapsulated in a microcapsule formed from an organic resin, an N-vinyl-2-pyrrolidone polymer, glycerin, and water, in which when contents (% by mass) of the reversibly thermochromic microcapsule pigment, the N-vinyl-2-pyrrolidone polymer, and the glycerin with respect to a total mass of the ink composition are PMC, PPVP, and PG, respectively, 0.3 ≤ PMC/(PPVP + PG) ≤ 4, and 0.2 ≤ PPVP/PG ^ 5, and a refill or an aqueous ballpoint pen incorporating the reversibly thermochromic aqueous ink composition.

  本发明提供了一种可逆热致变色水性墨水组合物，该组合物具有极佳的书写性，且很少出现着色剂聚集、组合物粘度增加或书写密度降低等问题，还提供了使用该可逆热致变色水性墨水组合物的笔芯或水性圆珠笔。 可逆热致变色组合物是一种可逆热致变色水性墨水组合物，它包含封装在由有机树脂、N-乙烯基-2-吡咯烷酮聚合物形成的微胶囊中的可逆热致变色微胶囊颜料、甘油和水，其中当可逆热致变色微胶囊颜料、N-乙烯基-2-吡咯烷酮聚合物和甘油相对于油墨组合物总质量的含量（质量百分比）分别为 PMC、PPVP 和 PG 时，0.3 ≤ PMC/(PPVP + PG) ≤ 4，和 0.2 ≤ PPVP/PG ^ 5，以及包含可逆热致变色水性墨水组合物的笔芯或水性圆珠笔。
• Reversible thermochromic composition having improved light-fastness and product comprising same
  申请人：THE PILOT INK CO., LTD.

  公开号：EP1179435B1

  公开（公告）日：2006-11-29
• REVERSIBLY THERMOCHROMIC COMPOSITION, REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT ENCAPSULATING REVERSIBLY THERMOCHROMIC COMPOSITION, AND WRITING INSTRUMENT USING REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT
  申请人：THE PILOT INK CO., LTD.

  公开号：US20220169919A1

  公开（公告）日：2022-06-02

  [Problems] Provided are a highly marketable reversibly thermochromic composition that provides a black color during color development by using a fluoran derivative having a specific structure as an electron-donating color-developing organic compound, turns colorless during decoloration, and is excellent in contrast between a colored state and a decolored state and a microcapsule pigment encapsulating the same. [Solution] Disclosed are a reversibly thermochromic composition including: (a) a fluoran derivative having a specific structure as an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) a reaction medium which reversibly induces an electron transfer reaction between the component (a) and the component (b) in a specific temperature range, and a reversibly thermochromic microcapsule pigment encapsulating the same.
• US4323710A
  申请人：——

  公开号：US4323710A

  公开（公告）日：1982-04-06