2-(5-chloro-2H-benzotriazol-2-yl)-4-methyl-6-(3-methylbutoxymethyl)phenol | 1314118-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(5-chloro-2H-benzotriazol-2-yl)-4-methyl-6-(3-methylbutoxymethyl)phenol
• 英文别名: 2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-6-(3-methyl-butoxymethyl)-phenol；2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(3-methylbutoxymethyl)phenol
• CAS: 1314118-48-3
• 化学式: C₁₉H₂₂ClN₃O₂
• 分子量: 359.856
• InChiKey: LWAGYNVPSWGEAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  紫外线吸收剂 UV-326 在 盐酸 、 aluminum (III) chloride 、 sodium carbonate 、 溶剂黄146 、 zinc(II) chloride 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 14.5h， 生成 2-(5-chloro-2H-benzotriazol-2-yl)-4-methyl-6-(3-methylbutoxymethyl)phenol
  参考文献：
  名称：

  [EN] 2 - PHENYL - 1, 2, 3 - BENZOTRIAZOLES FOR UV RADIATION ABSORBANCE
  [FR] 2-PHÉNYL-1,2,3-BENZOTRIAZOLES POUR ABSORPTION DE RAYONNEMENT UV

  摘要：

  本发明涉及新型苯并三唑及包含这些苯并三唑的新型局部组合物。此外，该发明涉及将新型苯并三唑用作二苯甲酮衍生物（如丁基甲氧基二苯甲酮）的光稳定剂和溶解剂。在一个方面，该发明涉及公式（Ia）中R2为氢；C1-30烷基；C1-5烷氧基；C1-5烷氧羰基；C5-7环烷基；C6-10芳基或芳基烷基；R3为氢；C1-5烷基；C1-5烷氧基或卤素，优选氢或氯；R4为氢或C1-5烷基；R5为C1-30烷基或C5-10环烷基。

  公开号：

  WO2011086124A1

文献信息

• [EN] PROCESS TO MAKE UV RADIATION ABSORBING 2 - PHENYL - 1, 2, 3 - BENZOTRIAZOLES<br/>[FR] PROCÉDÉ DE FABRICATION DE 2-PHÉNYL-1,2,3-BENZOTRIAZOLES ABSORBANT LE RAYONNEMENT UV
  申请人：DSM IP ASSETS BV

  公开号：WO2011086127A1

  公开（公告）日：2011-07-21

  The invention relates to an improved process for the manufacture of novel benzotriazoles as well to novel benzotriazoles obtained by the novel process. This novel economical process provides products in high purity and yields.

  该发明涉及一种改进的制造新型苯并三唑的工艺，以及通过该新工艺获得的新型苯并三唑。这种新颖的经济工艺提供了高纯度和产量的产品。
• NOVEL PROCESS
  申请人：Preschel Michael

  公开号：US20120302760A1

  公开（公告）日：2012-11-29

  The invention relates to an improved process for the manufacture of novel benzotriazoles as well to novel benzotriazoles obtained by the novel process. This novel economical process provides products in high purity and yields.

  本发明涉及一种改进的制造新型苯并三唑的方法，以及通过该新方法获得的新型苯并三唑。这种新型经济方法提供高纯度和高产率的产品。
• 2-PHENYL- 1,2,3- BENZOTRIAZOLES FOR UV RADIATION ABSORBANCE
  申请人：Schlifkeposchalko Alexander

  公开号：US20130142737A1

  公开（公告）日：2013-06-06

  The present invention relates to novel benzotriazoles and to novel topical compositions comprising these benzotriazoles. Furthermore, the invention relates to the use of the novel benzotriazoles as photostabilizer and solubiliser for dibenzoyl-methane derivatives such as Butyl Methoxydibenzoylmethane. In one aspect the invention relates to novel benzotriazoles of formula (Ia) wherein R 2 is hydrogen; C 1-30 alkyl; C 1-5 alkoxy; C 1-5 alkoxycarbonyl; C 5-7 cycloalkyl; C 6-10 aryl or aralkyl; R 3 is hydrogen; C 1-5 alkyl; C 1-5 alkoxy or halogen, preferably hydrogen or Cl; R 4 is hydrogen or C 1-5 alkyl; R 5 is C 1-30 alkyl or C 5-10 cycloalkyl.

  本发明涉及新型苯并三唑和含有这些苯并三唑的新型局部制剂。此外，本发明涉及将新型苯并三唑用作光稳定剂和溶解剂，以用于二苯甲酰甲烷衍生物，例如丁基甲氧基二苯甲酰甲烷。在一个方面，本发明涉及式（Ia）的新型苯并三唑，其中R2为氢；C1-30烷基；C1-5烷氧基；C1-5烷氧羰基；C5-7环烷基；C6-10芳基或芳基烷基；R3为氢；C1-5烷基；C1-5烷氧基或卤素，优选氢或氯；R4为氢或C1-5烷基；R5为C1-30烷基或C5-10环烷基。
• 2-phenyl-1,2,3-benzotriazoles for UV radiation absorbance
  申请人：Schlifke-Poschalko Alexander

  公开号：US08883829B2

  公开（公告）日：2014-11-11

  The present invention relates to novel benzotriazoles and to novel topical compositions comprising these benzotriazoles. Furthermore, the invention relates to the use of the novel benzotriazoles as photostabilizer and solubilizer for dibenzoylmethane derivatives such as Butyl Methoxydibenzoylmethane. In one aspect the invention relates to novel benzotriazoles of formula (Ia) wherein R2 is hydrogen; C1-30alkyl; C1-5alkoxy; C1-5alkoxycarbonyl; C5-7cycloalkyl; C6-10aryl or aralkyl; R3 is hydrogen; C1-5alkyl; C1-5alkoxy or halogen, preferably hydrogen or Cl; R4 is hydrogen or C1-5alkyl; R5 is C1-30alkyl or C5-10cycloalkyl.

  本发明涉及新型苯并三唑和包含这些苯并三唑的新型局部组合物。此外，本发明涉及将新型苯并三唑用作二苯甲酮衍生物（如丁基甲氧基二苯甲酮）的光稳定剂和溶剂。在一个方面，本发明涉及式（Ia）的新型苯并三唑，其中R2是氢; C1-30烷基; C1-5烷氧基; C1-5烷氧羰基; C5-7环烷基; C6-10芳基或芳基烷基; R3是氢; C1-5烷基; C1-5烷氧基或卤素，优选氢或氯; R4是氢或C1-5烷基; R5是C1-30烷基或C5-10环烷基。
• Process to make UV radiation absorbing 2-phenyl-1,2,3,-benzotriazoles
  申请人：Preschel Michael

  公开号：US08895754B2

  公开（公告）日：2014-11-25

  The invention relates to an improved process for the manufacture of novel benzotriazoles as well to novel benzotriazoles obtained by the novel process. This novel economical process provides products in high purity and yields.

  该发明涉及一种改进的制造新型苯并三唑的方法，以及通过新方法获得的新型苯并三唑。这种新型经济方法提供了高纯度和高产率的产品。