2,2’,4’-三羟基-4-甲氧基二苯甲酮 | 7392-62-3

• 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: 2,2’,4’-三羟基-4-甲氧基二苯甲酮
• 中文别名: 2,2',4'-三羟基-4-甲氧基二苯甲酮
• 英文名称: 2,2',4'-trihydroxy-4-methoxybenzophenone
• 英文别名: 2,2',4-Trihydroxy-4'-methoxybenzophenone；(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxyphenyl)methanone
• CAS: 7392-62-3
• 化学式: C₁₄H₁₂O₅
• 分子量: 260.246
• InChiKey: YLQYOUPUVFQNLO-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  2,2’,4’-三羟基-4-甲氧基二苯甲酮 、 乙酸酐 生成 [3-acetyloxy-4-(2-acetyloxy-4-methoxybenzoyl)phenyl] acetate
  参考文献：
  名称：

  GAEKWAD Y. G.; SETHNA S., J. INDIAN CHEM. SOC., 1978, 55, NO 8, 794-800

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-二羟基-4,4'-二甲氧基二苯甲酮 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 2,2’,4’-三羟基-4-甲氧基二苯甲酮
  参考文献：
  名称：

  Dioxybenzone triggers enhanced estrogenic effect via metabolic activation: in silico, in vitro and in vivo investigation

  摘要：

  Dioxybenzone is widely used in cosmetics and personal care products and frequently detected in multiple environmental media and human samples. However, the current understanding of the metabolic susceptibility of dioxybenzone and the potential endocrine disruption through its metabolites in mimicking human estrogens remains largely unclear. Here we investigated the in vitro metabolism of dioxybenzone, detected the residue of metabolites in rats, and determined the estrogenic disrupting effects of these metabolites toward estrogen receptor α (ERα). In vitro metabolism revealed two major metabolites from dioxybenzone, i.e., M1 through the demethylation of methoxy moiety and M2 through hydroxylation of aromatic carbon. M1 and M2 were both rapidly detected in rat plasma upon exposure to dioxybenzone, which were then distributed into organs of rats in the order of livers > kidneys > uteri > ovaries. The 100 ns molecular dynamics simulation revealed that M1 and M2 formed hydrogen bond to residue Leu387 and Glu353, respectively, on ERα ligand binding domain, leading to a reduced binding free energy. M1 and M2 also significantly induced estrogenic effect in comparison to dioxybenzone as validated by the recombinant ERα yeast two-hybrid assay and uterotrophic assay. Overall, our study revealed the potential of metabolic activation of dioxybenzone to induce estrogenic disrupting effects, suggesting the need for incorporating metabolic evaluation into the health risk assessment of benzophenones and their structurally similar analogs.

  DOI：

  10.1016/j.envpol.2020.115766

文献信息

• ULTRAVIOLET LIGHT ABSORBERS
  申请人：Transitions Optical, Inc.

  公开号：US20170275534A1

  公开（公告）日：2017-09-28

  The present invention relates to compounds that have ultraviolet light absorbing properties, and which can also have mesogenic properties. The present invention also relates to compositions that include one or more such compounds, and to articles of manufacture that include one or more such compounds, such as optical elements that include an optical substrate and a layer that includes at least one compound of the present invention.

  本发明涉及具有吸收紫外光特性的化合物，该化合物还可以具有介向性质。本发明还涉及包括一种或多种这种化合物的组合物，以及包括一种或多种这种化合物的制造物，例如包括光学基底和包含本发明至少一种化合物的层的光学元件。
• Plastic article for automotive glazing
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP2426175A1

  公开（公告）日：2012-03-07

  A plastic article is provided wherein a plastic substrate is coated with multiple resin layers including a primer layer comprising a polymer having a UV-absorptive functional group incorporated therein and a weather resistant hardcoat layer comprising a reaction product of alkoxysilyl-containing benzophenone and/or a hydrolyzate thereof.

  提供了一种塑料制品，其中塑料基材上涂有多层树脂，包括底漆层和耐候硬涂层，底漆层由聚合物组成，聚合物中含有紫外线吸收官能团，耐候硬涂层由含烷氧基硅基二苯甲酮和/或其水解物的反应产物组成。
• Plastic Substrate for Automotive Glazing and Its Repairing Method
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP2607413A1

  公开（公告）日：2013-06-26

  A plastic substrate for automotive glazing is provided. The substrate is an article comprising first layer in contact with the substrate surface, which is a layer prepared by curing a coating composition containing a vinyl copolymer having an alkoxysilyl group and a UV-absorbing group and a fine particle silicon oxide and not containing any curing catalyst; second layer in contact with the first layer, which is a layer prepared by curing an organopolysiloxane composition containing a curing catalyst and a co-hydrolyzate of an organosilicon compound containing a UV-absorbing organooxysilane and a fine particle silicon oxide; and third layer in contact with the second layer, which is a layer prepared by curing an organopolysiloxane composition containing a curing catalyst having an activity stronger than the catalyst used in the second layer, and a co-hydrolyzate of an organosilicon compound containing a UV-absorbing organooxysilane and a fine particle silicon oxide.

  提供了一种用于汽车玻璃的塑料基材。该基材是一种制品，包括与基材表面接触的第一层，该层是通过固化一种涂料组合物制备的，该涂料组合物含有一种乙烯基共聚物，该乙烯基共聚物具有一个烷氧基硅烷基团和一个紫外线吸收基团，还含有一种细颗粒氧化硅，并且不含任何固化催化剂；与第一层接触的第二层，该层是通过固化一种有机聚硅氧烷组合物制备的，该有机聚硅氧烷组合物含有一种固化催化剂和一种有机硅化合物的共水解物，该有机硅化合物含有一种紫外线吸收有机硅氧烷和一种细颗粒氧化硅；与第二层接触的第三层，该层是通过固化有机聚硅氧烷组合物制备的，该有机聚硅氧烷组合物含有活性强于第二层所用催化剂的固化催化剂，以及含有紫外线吸收有机硅氧烷的有机硅化合物和细颗粒氧化硅的共水解物。
• Ultraviolet light absorbers
  申请人：Transitions Optical, Inc.

  公开号：US10619098B2

  公开（公告）日：2020-04-14

  Compounds that have ultraviolet light absorbing properties, and which can also have mesogenic properties. Compositions that include one or more such compounds. Articles of manufacture that include one or more such compounds, such as optical elements that include an optical substrate and a layer that includes at least one such compound.

  具有紫外线吸收特性的化合物，也可具有中生特性。包含一种或多种此类化合物的组合物。包括一种或多种此类化合物的制造品，如包括光学基底和至少一种此类化合物层的光学元件。
• US2854485
  申请人：——

  公开号：——

  公开（公告）日：——