4-溴-3’,4’-二甲氧基二苯甲酮 | 116412-90-9

• 物质功能分类: 有机原料 - 酮类化合物
• 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: 4-溴-3’,4’-二甲氧基二苯甲酮
• 中文别名: 4-溴-3',4'-二甲氧基二苯甲酮
• 英文名称: (3,4-dimethoxyl phenyl)(4-bromophenyl)methanone
• 英文别名: (4-bromophenyl)(3,4-dimethoxyphenyl)methanone；(4-bromophenyl)-(3,4-dimethoxyphenyl)methanone
• CAS: 116412-90-9
• 化学式: C₁₅H₁₃BrO₃
• mdl: MFCD02127292
• 分子量: 321.17
• InChiKey: JJNXGNYHLQVEAC-UHFFFAOYSA-N

物化性质

• 熔点：
  116-119 °C
• 沸点：
  426.6±40.0 °C(Predicted)
• 密度：
  1.385±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  4-溴-3’,4’-二甲氧基二苯甲酮 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 (3,4-dimethoxyphenyl)(4-bromophenyl)methanone oxime
  参考文献：
  名称：

  Design, synthesis, and fungicidal activity of novel carboxylic acid amides represented by N-benzhydryl valinamode carbamates

  摘要：

  一系列的缬氨酰胺氨基甲酸酯衍生物通过在缬氨酰胺氨基甲酸酯前体中引入取代芳香环而设计和合成。生物测定显示，一些标题化合物表现出非常良好的杀真菌活性。

  DOI：

  10.1039/c4ob00744a
• 作为产物：
  描述：

  4-溴苯甲酸 在 aluminum (III) chloride 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-溴-3’,4’-二甲氧基二苯甲酮
  参考文献：
  名称：

  Design, synthesis, and fungicidal activity of novel carboxylic acid amides represented by N-benzhydryl valinamode carbamates

  摘要：

  一系列的缬氨酰胺氨基甲酸酯衍生物通过在缬氨酰胺氨基甲酸酯前体中引入取代芳香环而设计和合成。生物测定显示，一些标题化合物表现出非常良好的杀真菌活性。

  DOI：

  10.1039/c4ob00744a

文献信息

• <i>p</i>-Selective (sp²)-C–H functionalization for an acylation/alkylation reaction using organic photoredox catalysis
  作者：Ganesh Pandey、Sandip Kumar Tiwari、Bhawana Singh、Kumar Vanka、Shailja Jain

  DOI：10.1039/c7cc07529d

  日期：——

  p-Selective (sp2)-C-H functionalization of electron rich arenes have been achieved for acylation and alkylation reaction, respectively, with acyl/alkylselenides by organic photoredox catalysis involving interesting mechanistic pathway.

  富电子芳烃的p-选择性（sp2）-CH功能化已通过涉及有趣机理的有机光氧化还原催化分别通过酰基/烷基硒化物进行酰化和烷基化反应。
• Photochromic materials having extended pi-conjugated systems and compositions and articles including the same
  申请人：Kim Beon-Kyu

  公开号：US20060228557A1

  公开（公告）日：2006-10-12

  Various non-limiting embodiments disclosed herein relate to photochromic materials having extended pi-conjugated systems. For example, various non-limiting embodiments disclosed herein provide a photochromic material, such as an indeno-fused naphthopyran, which comprises a group that extends the pi-conjugated system of the indeno-fused naphthopyran bonded at the 11-position thereof. Further, the photochromic materials according to certain non-limiting embodiments disclosed herein may display hyperchromic absorption of electromagnetic radiation as compared to conventional photochromic materials and/or may have a closed-form absorption spectrum that is bathochromically shifted as compared to conventional photochromic materials. Other non-limiting embodiments relate to photochromic compositions and photochromic articles, such as optical elements, made using the disclosed photochromic materials, and methods of making the same.

  本文披露的各种非限制性实施例涉及具有扩展π共轭系统的光致变色材料。例如，本文披露的各种非限制性实施例提供了一种光致变色材料，例如吲哚并螺并萘哌啶，其包括延伸吲哚并螺并萘哌啶的π共轭系统的基团，该基团与其11位键合。此外，根据本文披露的某些非限制性实施例，与传统光致变色材料相比，光致变色材料可能显示出电磁辐射的高吸光度，和/或具有相对于传统光致变色材料的向红移的闭合吸收光谱。其他非限制性实施例涉及使用所披露的光致变色材料制造的光致变色组合物和光致变色物品，例如光学元件，以及制造这些物品的方法。
• Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems
  申请人：Kim Beon-Kyu

  公开号：US20060226402A1

  公开（公告）日：2006-10-12

  Various non-limiting embodiments disclosed herein relate to ophthalmic devices comprising photochromic materials having extended pi-conjugated systems. For example, various non-limiting embodiments disclosed herein provide a photochromic material, such as an indeno-fused naphthopyran, which comprises a group that extends the pi-conjugated system of the indeno-fused naphthopyran bonded at the 11-position of thereof. Further, the photochromic materials according to certain non-limiting embodiments disclosed herein may display hyperchromic absorption of electromagnetic radiation as compared to conventional photochromic materials and/or may have a closed-form absorption spectrum that is bathochromically shifted as compared to conventional photochromic materials. Other non-limiting embodiments relate to methods of making the ophthalmic devices comprising photochromic materials.

  本文披露了各种非限制性实施例，涉及具有扩展pi-共轭系统的光学装置，包括光致变色材料。例如，本文披露了各种非限制性实施例，提供了一种光致变色材料，例如一个在其11位点上连接扩展pi-共轭系统的吲哚并蒽吩。此外，根据本文披露的某些非限制性实施例，光致变色材料可能显示出比传统光致变色材料更高的电磁辐射吸收超色谱和/或比传统光致变色材料更向低波长方向移动的闭合吸收光谱。其他非限制性实施例涉及制造包括光致变色材料的光学装置的方法。
• PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME
  申请人：Kim Beon-Kyu

  公开号：US20090032782A1

  公开（公告）日：2009-02-05

  Various non-limiting embodiments disclosed herein relate to photochromic materials having extended pi-conjugated systems, such as an indeno-fused naphthopyran, which comprises a group that extends the pi-conjugated system of the indeno-fused naphthopyran bonded at the 11-position thereof. Further, the photochromic materials according to certain non-limiting embodiments disclosed herein may display hyperchromic absorption of electromagnetic radiation as compared to conventional photochromic materials and/or may have a closed-form absorption spectrum that is bathochromically shifted as compared to conventional photochromic materials. Other non-limiting embodiments relate to photochromic compositions and photochromic articles, such as optical elements, made using the disclosed photochromic materials, and methods of making the same.

  本文披露了一些非限制性实施例，涉及具有扩展π-共轭系统的光致变色材料，例如一种在其11位点键合了扩展π-共轭系统的吲哚并螺[2,3-f]萘吡喃。此外，根据本文所披露的某些非限制性实施例，光致变色材料可以显示比传统光致变色材料更高的电磁辐射吸收，和/或具有比传统光致变色材料更向红移的闭合吸收光谱。其他非限制性实施例涉及使用所披露的光致变色材料制成的光致变色组合物和光致变色物品，例如光学元件，以及制造它们的方法。
• Photochromic materials comprising metallocenyl groups
  申请人：Xiao Wenjing

  公开号：US20070278460A1

  公开（公告）日：2007-12-06

  Various non-limiting embodiments of the present invention relate to photochromic materials having a metallocenyl group. More particularly, various non-limiting embodiments disclosed herein provide photochromic materials including an indeno-fused naphthopyran, such as an indeno[2′,3′:3,4]naphtho[1,2-b]pyran, and a metallocenyl group bonded to at least one available position on the indeno-fused naphthopyran. Other non-limiting embodiments disclosed herein provide photochromic composition and photochromic articles, such as but not limited to ophthalmic lens, which include the disclosed photochromic materials and method of making the same.

  本发明的各种非限制性实施例涉及具有金属茂基团的光致变色材料。更具体地说，本文所披露的各种非限制性实施例提供了包括吲哚并融合萘噻吩（如吲哚[2′，3′：3，4]萘[1，2-b]噻吩）和金属茂基团，所述金属茂基团与吲哚并融合萘噻吩上至少一个可用位置键合的光致变色材料。本文所披露的其他非限制性实施例提供了光致变色组合物和光致变色物品，例如眼科镜片等，其包括所披露的光致变色材料以及其制备方法。