2-[4-(二己基氨基)-2-羟基苯甲酰基]苯甲酸 | 86191-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[4-(二己基氨基)-2-羟基苯甲酰基]苯甲酸
• 英文名称: 2-(4-(dihexylamine)-2-hydroxybenzoyl)benzoic acid
• 英文别名: 2-(4-dihexylamino-2-hydroxybenzoyl)benzoic acid；2-[4-(Dihexylamino)-2-hydroxybenzoyl]benzoic acid
• CAS: 86191-36-8
• 化学式: C₂₆H₃₅NO₄
• 分子量: 425.568
• InChiKey: RZXXOJRLHRHSTR-UHFFFAOYSA-N

物化性质

• 沸点：
  606.6±50.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[4-(二己基氨基)-2-羟基苯甲酰基]苯甲酸 、 维生素 C 以 ice-water 、 硫酸 为溶剂， 以76%的产率得到(R)-2-((R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxy-ethyl 2-(4-dihexylamino-2-hydroxybenzoyl)benzoate
  参考文献：
  名称：

  UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES

  摘要：

  本发明涉及式（I）化合物，其中R1，R2，R3，R4具有所述权利要求中引用的含义，其制备方法，含有所述化合物的制剂以及它们用于基质的功能化，特别是它们作为皮肤和/或头发结合的紫外线过滤剂的用途。

  公开号：

  US20100322880A1
• 作为产物：
  描述：

  N,N-dihexyl-3-methoxyaniline 在 aluminum (III) chloride 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 生成 2-[4-(二己基氨基)-2-羟基苯甲酰基]苯甲酸
  参考文献：
  名称：

  Syntheses and Photophysical Properties of Aminobenzopyranoxanthene Dyes Containing Various Alkyl Chains at Amine Moieties

  摘要：

  Aminobenzopyranoxanthene (ABPX) dyes containing linear n-alkyl chains at amino groups were synthesized, and their cis and trans stereoisomers were isolated. Detailed spectrophotometric studies revealed that all the ABPX derivatives exhibited fluorescence emission in the far-red and near-infrared wavelength regions, and their fluorescence quantum efficiency increased with increasing n-alkyl chain length. Almost no differences in photophysical properties were observed between the cis and trans stereoisomers.

  DOI：

  10.3987/com-16-s(s)65

文献信息

• RHODAMINE-BASED COLORANT COMPOUND AND PROCESS FOR PRODUCING SAME
  申请人：RIKEN

  公开号：US20180244923A1

  公开（公告）日：2018-08-30

  Provided is a compound capable of exhibiting different changes in hue with one kind of molecule. The compound has julolidine structures, and is represented by a general formula (1): wherein each of Q and Q 1 represents C(R) or N; R represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, or a carboxyl group, where two Rs may bind to each other to form a ring; R 1 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, or a carboxyl group, where two R 1 s may bind to each other to form a ring; n represents a number of 0 to 3; and m represents a number of 0 to 3.

  提供的是一种化合物，能够展示出在一种分子中的不同色调变化。该化合物具有茱萸啉结构，并且由通用公式（1）表示：其中Q和Q1分别表示C（R）或N；R表示氢原子、卤素原子、具有1至6个碳原子的烷基基团，或羧基，其中两个R可以结合在一起形成环；R1表示氢原子、卤素原子、具有1至6个碳原子的烷基基团，或羧基，其中两个R1可以结合在一起形成环；n表示0至3的数字；m表示0至3的数字。
• A new class of rhodamine luminophores: design, syntheses and aggregation-induced emission enhancement
  作者：Shinichiro Kamino、Yuka Horio、Seiji Komeda、Katsuhiko Minoura、Hayato Ichikawa、Jun Horigome、Asana Tatsumi、Shinya Kaji、Takako Yamaguchi、Yoshihide Usami、Shun Hirota、Shuichi Enomoto、Yoshikazu Fujita

  DOI：10.1039/c0cc03407j

  日期：——

  A new class of rhodamine luminophores, 3',3''-bis(oxospiroisobenzofuran)-3,7-bis(dialkylamino)benzopyrano-xanthene derivatives (ABPX), have been successfully developed. The emission behavior of ABPX series is directly opposite to the concentration quenching of conventional rhodamine dyes. ABPX series exhibit aggregation-induced emission enhancement (AIEE).

  已经成功开发了新型的若丹明发光体，即3'，3''-双（氧螺基异苯并呋喃）-3,7-双（二烷基氨基）苯并吡喃基-x吨衍生物（ABPX）。ABPX系列的发射行为与常规若丹明染料的浓度猝灭直接相反。ABPX系列表现出聚集诱导的排放增强（AIEE）。
• Rhodamine-based colorant compound and process for producing same
  申请人：RIKEN

  公开号：US10435564B2

  公开（公告）日：2019-10-08

  Provided is a compound capable of exhibiting different changes in hue with one kind of molecule. The compound has julolidine structures, and is represented by a general formula (1): wherein each of Q and Q1 represents C(R) or N; R represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, or a carboxyl group, where two Rs may bind to each other to form a ring; R1 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, or a carboxyl group, where two R1s may bind to each other to form a ring; n represents a number of 0 to 3; and m represents a number of 0 to 3.

  本发明提供了一种能够以一种分子呈现不同色调变化的化合物。该化合物具有久洛尼定结构，由通式（1）表示： 其中 Q 和 Q1 各自代表 C(R)或 N；R 代表氢原子、卤素原子、具有 1 至 6 个碳原子的烷基或羧基，其中两个 R 可相互结合形成一个环；R1 代表氢原子、卤素原子、具有 1 至 6 个碳原子的烷基或羧基，其中两个 R1 可相互结合形成一个环；n 代表 0 至 3 的数字；m 代表 0 至 3 的数字。
• Stable Thiele’s Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism
  作者：Yuta Okamoto、Masaru Tanioka、Atsuya Muranaka、Kazunori Miyamoto、Tetsuya Aoyama、Xingmei Ouyang、Shinichiro Kamino、Daisuke Sawada、Masanobu Uchiyama

  DOI：10.1021/jacs.8b11092

  日期：2018.12.26

  We report synthesis and characterization of near-infrared (NIR)-absorbing/emitting Thiele's hydrocarbon derivatives, in which four aryl groups are bridged to a quinodimethane skeleton. The quinoid structure of the bridged-tetra-aryl-p-quinodimethanes (BTAQs) was confirmed by spectroscopic, X-ray crystallographic, and computational methods. Although quinodimethane derivatives with a small HOMO-LUMO energy gap often exhibit biradical character, BTAQs showed no biradical character. Instead, they exhibited two-step near-infrared electrochromism. The donor/acceptor properties of the aryl groups were found to play a key role in the unique properties of BTAQs.
• UVA FILTER AUF DER BASIS VON ASCORBINSÄUREDERIVATEN
  申请人：Merck Patent GmbH

  公开号：EP2238121A1

  公开（公告）日：2010-10-13