4-(4-Methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoesaeure | 27200-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoesaeure
• 英文别名: 4-(5-Methyl-4-phenyl-v-triazol-2-yl)benzoesaeure；4-(4-methyl-5-phenyl-[1,2,3]triazol-2-yl)-benzoic acid；4-(4-Methyl-5-phenyltriazol-2-yl)benzoic acid
• CAS: 27200-04-0
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: GBGROPSERYKFQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 4-(4-Methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoesaeure 在 硫酸 作用下， 反应 4.0h， 以88%的产率得到4-(4-Methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoesaeure-ethylester
  参考文献：
  名称：

  Sachweh, Volker; Langhals, Heinz, Chemische Berichte, 1986, vol. 119, # 5, p. 1627 - 1639

  摘要：

  DOI：
• 作为产物：
  描述：

  2-异亚硝基苯丙酮 在 sodium acetate 作用下， 以 乙醇 、 水 、 乙酸酐 、 溶剂黄146 为溶剂， 反应 53.0h， 生成 4-(4-Methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoesaeure
  参考文献：
  名称：

  Sachweh, Volker; Langhals, Heinz, Chemische Berichte, 1986, vol. 119, # 5, p. 1627 - 1639

  摘要：

  DOI：

文献信息

• Benzophenone uv-absorbers with heterocyclic substituents
  申请人：——

  公开号：US20040049052A1

  公开（公告）日：2004-03-11

  Compounds having the formula: wherein R1 represents hydrogen, C1-C20 alkyl which is unsubstituted or substituted by one or more ammonium, mono-, di-, tri or tetra-C1-C12 alkylammonium groups or by one or more sulphonium groups or represents an aralkyl residue having a total of from 7 to 10 carbon atoms and, in which, the aryl group is unsubstituted or substituted by C1-C4alkyl, C1-C4 alkoxy or halogen and Z is a group selected from R2, R3 and R4, independently, representing hydrogen, C1-C4alkyl, C1-C4 alkoxy, halogen, NHCOC1-C4 alkyl or phenyl which is unsubstituted or substituted by. C1-C4 alkyl, C1-C4 alkoxy or halogen, a process for their preparation and use of the compounds of formula (1) as UV-absorbers which have improved absorption spectrum characteristics, superior resistance to exposure to UV light and excellent thermal stability, relative to known benzophenone compounds.

  化合物的公式为：其中R1代表氢，C1-C20烷基，该烷基未取代或被一个或多个铵、单、双、三或四个C1-C12烷基铵基团取代，或被一个或多个磺酸基团取代，或代表一个总碳数为7至10的芳基烷基残基，在其中，芳基未取代或被C1-C4烷基、C1-C4烷氧基或卤素取代，Z是从R2、R3和R4中选择的基团，独立地代表氢、C1-C4烷基、C1-C4烷氧基、卤素、NHCOC1-C4烷基或未取代或被C1-C4烷基、C1-C4烷氧基或卤素取代的苯基，以及它们的制备方法和化合物的应用公式（1）作为紫外线吸收剂，具有改善的吸收光谱特性、优异的抗紫外线辐射性能和优良的热稳定性，相对于已知的苯酮化合物。
• SACHWEH, V.;LANGHALS, H., CHEM. BER., 1986, 119, N 5, 1627-1639
  作者：SACHWEH, V.、LANGHALS, H.

  DOI：——

  日期：——
• BENZOPHENONE UV-ABSORBERS WITH HETEROCYCLIC SUBSTITUENTS
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1351943A1

  公开（公告）日：2003-10-15
• [EN] BENZOPHENONE UV-ABSORBERS WITH HETEROCYCLIC SUBSTITUENTS<br/>[FR] AGENTS ANTI-UV DE BENZOPHENONE AVEC SUBSTITUANTS HETEROCYCLIQUES
  申请人：CIBA SC HOLDING AG

  公开号：WO2002048118A1

  公开（公告）日：2002-06-20

  Compounds having the formula: wherein R1 represents hydrogen, C1-C20 alkyl which is unsubstituted or substituted by one or more ammonium, mono-, di-, tri or tetra-C1-C12 alkylammonium groups or by one or more sulphonium groups or represents an aralkyl residue having a total of from 7 to 10 carbon atoms and, in which, the aryl group is unsubstituted or substituted by C1-C4alkyl, C1-C4 alkoxy or halogen and Z is a group selected from R2, R3 and R4, independently, representing hydrogen, C1-C4alkyl, C1-C4 alkoxy, halogen, NHCOC1-C4 alkyl or phenyl which is unsubstituted or substituted by. C1-C4 alkyl, C1-C4 alkoxy or halogen, a process for their preparation and use of the compounds of formula (1) as UV-absorbers which have improved absorption spectrum characteristics, superior resistance to exposure to UV light and excellent thermal stability, relative to known benzophenone compounds.