2,3-bis(4-methoxyphenyl)-6-hydroxy-1-benzofuran | 87220-26-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2,3-bis(4-methoxyphenyl)-6-hydroxy-1-benzofuran
• 英文别名: 2,3-Bis(p-methoxyphenyl)benzofuran-6-ol；2,3-bis-(4-methoxy-phenyl)-benzofuran-6-ol；2,3-Bis-(4-methoxy-phenyl)-6-hydroxy-benzofuran；2,3-Bis(p-methoxyphenyl)-6-hydroxybenzofuran；2,3-Bis(4-methoxyphenyl)-1-benzofuran-6-ol
• CAS: 87220-26-6
• 化学式: C₂₂H₁₈O₄
• 分子量: 346.383
• InChiKey: AXSVCKIFQVONHI-UHFFFAOYSA-N

物化性质

• 熔点：
  134 °C
• 沸点：
  397.8±42.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,3-bis(4-methoxyphenyl)-6-hydroxy-1-benzofuran 在 sodium hydroxide 、 吡啶盐酸盐 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 4,4'-(6-hydroxybenzofuran-2,3-diyl)diphenol
  参考文献：
  名称：

  Structure-activity relationship of antiestrogens. A study using triarylbutenone, benzofuran, and triarylfuran analogs as models for triarylethylenes and triarylpropenones

  摘要：

  In a study of the structure-activity relationship (SAR) of antiestrogens use has been made of certain 1,2,3-triarylbutenones, of 2-arylbenzofurans carrying aryl or aroyl substituents at C3, and of 2,3,4-triarylfurans as conformationally constrained models for triarylethylene (TAE) and triarylpropenone (TAP) prototypes. The position-specific contributions of substituents to receptor affinity and to agonist-antagonist profiles were used as aids in characterizing the relative binding orientation of the prototypes. Although most compounds were found to be weak receptor ligands and poorly active in vivo, the following conclusions could be drawn about their SAR: (i) (Z)-TAPs and TAEs interact with the receptor in an analogous manner using the trans-stilbene core, with their agonist-antagonist profiles depending on the nature of other substructures. (ii) Incorporation into the benzofuran framework introduces a stereoelectronic constraint that compromises the normal binding interactions of TAE, as well as TAP, prototypes, resulting in their poor affinities and weak biological activities. (iii) (E)-TAPs can interact with the receptor through their S-cis conformation, but such a binding mode is unlikely to account for their behavior as antagonists.

  DOI：

  10.1021/jm00128a006
• 作为产物：
  描述：

  茴香偶姻 、 间苯二酚 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以3.5 g的产率得到2,3-bis(4-methoxyphenyl)-6-hydroxy-1-benzofuran
  参考文献：
  名称：

  Structure-activity relationship of antiestrogens. A study using triarylbutenone, benzofuran, and triarylfuran analogs as models for triarylethylenes and triarylpropenones

  摘要：

  In a study of the structure-activity relationship (SAR) of antiestrogens use has been made of certain 1,2,3-triarylbutenones, of 2-arylbenzofurans carrying aryl or aroyl substituents at C3, and of 2,3,4-triarylfurans as conformationally constrained models for triarylethylene (TAE) and triarylpropenone (TAP) prototypes. The position-specific contributions of substituents to receptor affinity and to agonist-antagonist profiles were used as aids in characterizing the relative binding orientation of the prototypes. Although most compounds were found to be weak receptor ligands and poorly active in vivo, the following conclusions could be drawn about their SAR: (i) (Z)-TAPs and TAEs interact with the receptor in an analogous manner using the trans-stilbene core, with their agonist-antagonist profiles depending on the nature of other substructures. (ii) Incorporation into the benzofuran framework introduces a stereoelectronic constraint that compromises the normal binding interactions of TAE, as well as TAP, prototypes, resulting in their poor affinities and weak biological activities. (iii) (E)-TAPs can interact with the receptor through their S-cis conformation, but such a binding mode is unlikely to account for their behavior as antagonists.

  DOI：

  10.1021/jm00128a006

文献信息

• Gallium Phthalocyanine Crystal, Production Process Thereof, Photoreceptor, Process Cartridge and Image Forming Apparatus
  申请人：HONGO Kazuya

  公开号：US20120322998A1

  公开（公告）日：2012-12-20

  A gallium phthalocyanine crystal has a peak of spectral absorption spectrum within a wavelength range of from about 760 nm to about 773 nm or within a wavelength range of from about 790 nm to about 809 nm.

  一种镓酞菁晶体在波长范围大约为760纳米至773纳米或大约为790纳米至809纳米内具有光谱吸收谱的峰值。
• Photoconductive organic pigment, photoconductive organic pigment dispersion liquid, electrophotographic photoreceptor and electrophotographic device using the same
  申请人：Fuji Xerox Co., Ltd.

  公开号：US20040063013A1

  公开（公告）日：2004-04-01

  The present invention relates to a photoconductive organic pigment comprising granular cores and an organic pigment having photoconductive properties which organic pigment adheres to the surfaces of the granular cores, a photoconductive organic pigment dispersion liquid comprising the photoconductive organic pigment, and an electrophotographic photoreceptor comprising an electroconductive substrate laminated with a photosensitive layer containing the photoconductive organic pigment and an electrophotographic device using the electrophotographic photoreceptor.

  本发明涉及一种光电导有机颜料，该有机颜料包括颗粒状核心和具有光电导特性的有机颜料，该有机颜料附着在颗粒状核心的表面；一种光电导有机颜料分散液，该分散液包含该光电导有机颜料；以及一种电子照相感光器，该电子照相感光器包括与包含该光电导有机颜料的感光层层叠的导电基板和使用该电子照相感光器的电子照相设备。
• Hydroxygallium phthalocyanine pigment and process for the production thereof, process for the production of photosensitive layer-forming coating solution, electrophotographic photoreceptor, process cartridge, electrophotographic device and image formation method
  申请人：Hongo Kazuya

  公开号：US20050100806A1

  公开（公告）日：2005-05-12

  A hydroxygallium phthalocyanine pigment is characterized by having a maximum peak wavelength within a range of from 810 nm to 839 nm in optical absorption spectrum in a wavelength range of from 600 nm to 900 nm.

  羟基镓酞菁颜料的特点是，在 600 纳米至 900 纳米的波长范围内，其光学吸收光谱的最大峰值波长在 810 纳米至 839 纳米之间。
• 872. Polymerisation of flavans. Part II. The condensation of 4′-methoxyflavan with phenols
  作者：B. R. Brown、W. Cummings

  DOI：10.1039/jr9580004302

  日期：——
• Hishmat, O. H.; Rahman, A. H. Abd el; El-Ebrashi, N. M. A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 3, p. 313 - 315
  作者：Hishmat, O. H.、Rahman, A. H. Abd el、El-Ebrashi, N. M. A.、El-Diwani, H. I.、El-Diwani, A. I.

  DOI：——

  日期：——