(2,5-dihydroxyphenyl)(4-hydroxyphenyl)methanone | 120506-56-1

• 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: (2,5-dihydroxyphenyl)(4-hydroxyphenyl)methanone
• 英文别名: 2,5,4'-trihydroxy-benzophenone；2,5,4'-Trihydroxy-benzophenon；Methanone, (2,5-dihydroxyphenyl)(4-hydroxyphenyl)-；(2,5-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
• CAS: 120506-56-1
• 化学式: C₁₃H₁₀O₄
• 分子量: 230.22
• InChiKey: ZYVHNBIJFJZZNO-UHFFFAOYSA-N

物化性质

• 熔点：
  162°C
• 沸点：
  479.7±40.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,5-dihydroxyphenyl)(4-hydroxyphenyl)methanone 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以87%的产率得到(2,5-dihydroxyphenyl)(4-hydroxyphenyl)methanone oxime
  参考文献：
  名称：

  Phenyl benzisoxazoles as estrogenic agents

  摘要：

  这项发明提供了式I的雌激素受体调节剂，其具有结构1，其中，R1、R2和R3如规范中定义，或其药用盐。

  公开号：

  US20030207927A1
• 作为产物：
  描述：

  (2-羟基-5-甲氧基苯基)-(4-羟基苯基)甲酮 在 吡啶盐酸盐 作用下， 反应 1.0h， 以78%的产率得到(2,5-dihydroxyphenyl)(4-hydroxyphenyl)methanone
  参考文献：
  名称：

  Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands

  摘要：

  New diphenolic azoles as highly selective estrogen receptor-beta agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERbeta as the natural ligand 17beta-estradiol but are > 100-fold selective over ERalpha. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERbeta cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(373), to optimize ERbeta selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERbeta. The majority of ERbeta selective agonists tested that were at least similar to50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERbeta-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.

  DOI：

  10.1021/jm049719y

文献信息

• Phenyl benzisoxazoles as estrogenic agents
  申请人：Wyeth

  公开号：US20030207927A1

  公开（公告）日：2003-11-06

  This invention provides estrogen receptor modulators of formula I, having the structure 1 wherein, R 1 , R 2 , and R 3 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  这项发明提供了式I的雌激素受体调节剂，其具有结构1，其中，R1、R2和R3如规范中定义，或其药用盐。
• Radiation-sensitive positive resist composition
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0461654A2

  公开（公告）日：1991-12-18

  A positive resist composition comprising a radiation-sensitive component, an alkali-soluble resin and a phenol compound of the formula: wherein R is a hydrogen atom, a lower alkyl group or a phenyl group, R' is an alkyl group or an alkoxy group, and n is a number of 0 to 3, which has well balanced good properties such as sensitivity, resolution, heat resistance and adhesiveness.

  一种阳离子抗蚀剂组合物，由辐射敏感成分、碱溶性树脂和式中的苯酚化合物组成： 其中 R 是氢原子、低级烷基或苯基，R'是烷基或烷氧基，n 是 0 至 3 的数字，它具有良好的平衡特性，如敏感性、分辨率、耐热性和粘合性。
• Positive type resist composition
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0559204A1

  公开（公告）日：1993-09-08

  A positive type resist composition comprising an alkali-soluble resin and a quinonediazide compound, wherein the alkali-soluble resin containing resin (A) is obtainable through a condensation reaction with at least one phenol compound represented by the following general formula (I): wherein R₁ to R₃ independently of one another each represent a hydrogen atom or an alkyl or alkoxy group having 1-4 carbon atoms and k represents 1 or 2, at least one compound represented by the following general formula (II): wherein R₄ represents a hydrogen atom, an alkyl group having 1-4 carbon atoms or a phenyl group, R₅ to R₇ independently of one another each represent a hydrogen atom or an alkyl or alkoxy group having 1-4 carbon atoms and n represents 1 or 2, and an aldehyde compound. This composition is excellent in the balance between performances such as sensitivity, heat resistance and profile, and is free from scum.

  一种由碱溶性树脂和醌噻嗪化合物组成的正型抗蚀剂组合物，其中含有树脂（A）的碱溶性树脂可通过与至少一种由下式通式（I）代表的苯酚化合物发生缩合反应而获得： 其中 R₁至 R₃各自独立地代表氢原子或具有 1-4 个碳原子的烷基或 烷氧基，k 代表 1 或 2： 其中 R₄ 代表氢原子、具有 1-4 个碳原子的烷基或苯基，R₅ 至 R₇ 各自独立地代表氢原子或具有 1-4 个碳原子的烷基或烷氧基，n 代表 1 或 2，以及醛化合物。这种组合物在灵敏度、耐热性和外形等性能之间具有极佳的平衡性，而且不会产生浮渣。
• Positive resist film laminate and pattern forming process
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US10719015B2

  公开（公告）日：2020-07-21

  A laminate comprising a thermoplastic film and a positive resist film is provided, the positive resist film comprising (A) a novolak resin-naphthoquinone diazide (NQD) base resin composition, (B) a polyester, and (C) 3-30 wt % of an organic solvent. The resist film may be transferred to a stepped support without forming voids.

  提供了一种由热塑性薄膜和正极抗蚀膜组成的层压板，正极抗蚀膜包括 (A) 酚醛树脂-重氮化萘醌（NQD）基树脂组合物、(B) 聚酯和 (C) 3-30 wt % 的有机溶剂。抗蚀剂薄膜可转移到阶梯状支撑物上而不会形成空隙。
• Chemical Constitution and the Tanning Effect. III. Polyhydroxybenzophenones
  作者：Alfred. Russell、George B. Butler

  DOI：10.1021/ja01179a024

  日期：1949.11.19