4-dimethylaminobenzoic acid 2,3-dihydroxypropyl ester | 93136-86-8

• 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: 4-dimethylaminobenzoic acid 2,3-dihydroxypropyl ester
• 英文别名: 2,3-dihydroxypropyl 4-(dimethylamino)benzoate；Glyceryl-α-(p-dimethylamino)-benzoat；2,3-Dihydroxypropyl 4-dimethylaminobenzoate
• CAS: 93136-86-8
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: MWWUYNZIWPQPBB-UHFFFAOYSA-N

物化性质

• 熔点：
  88 °C
• 沸点：
  425.1±45.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  70
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-dimethylaminobenzoic acid 2,3-dihydroxypropyl ester 、 4-硝基苯胺 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 水 、 乙醇 为溶剂， 反应 2.5h， 以76%的产率得到2,3-dihydroxypropyl [4-(dimethylamino)-3-(4-nitrophenyl)azo]benzoate
  参考文献：
  名称：

  SYNTHESIS OF NOVEL 1,2-DIOL CONTAINING AZO DYES FOR POLYMERIC SUBSTRATES

  摘要：

  Two novel 1,2-diol containing azo dyes have been synthesized for application on polymeric textile substrates. We used multistep synthesis scheme which involved selectively bonding azo chromophore with glycerol moiety such that only one alcohol out of the three gets bonded to the chromophore while rest two remain unchanged. The 1,2-diol moiety, common in both dyes, is responsible for forming hydrogen bonds with polar sites on a polymeric substrate. The molecular structure of the final molecule and synthesized intermediates were elucidated by UV/Vis, FT-IR, MS (EI, ESI, and CI) and H-1-NMR spectroscopic techniques. Dyes were applied to polyester and nylon 66 fabrics as disperse dyes by exhaust dyeing method and furnished good to excellent fastness properties on both of them.

  DOI：

  10.4067/s0717-97072017000200014
• 作为产物：
  描述：

  N-(4-dimethylaminobenzoyl)imidazole 在 硼酸 、 三乙胺 作用下， 以 四氢呋喃 、 二乙二醇二甲醚 、 水 为溶剂， 反应 48.0h， 生成 4-dimethylaminobenzoic acid 2,3-dihydroxypropyl ester
  参考文献：
  名称：

  SYNTHESIS OF NOVEL 1,2-DIOL CONTAINING AZO DYES FOR POLYMERIC SUBSTRATES

  摘要：

  Two novel 1,2-diol containing azo dyes have been synthesized for application on polymeric textile substrates. We used multistep synthesis scheme which involved selectively bonding azo chromophore with glycerol moiety such that only one alcohol out of the three gets bonded to the chromophore while rest two remain unchanged. The 1,2-diol moiety, common in both dyes, is responsible for forming hydrogen bonds with polar sites on a polymeric substrate. The molecular structure of the final molecule and synthesized intermediates were elucidated by UV/Vis, FT-IR, MS (EI, ESI, and CI) and H-1-NMR spectroscopic techniques. Dyes were applied to polyester and nylon 66 fabrics as disperse dyes by exhaust dyeing method and furnished good to excellent fastness properties on both of them.

  DOI：

  10.4067/s0717-97072017000200014

文献信息

• Use of Mineral/Organic Composite Material in the Form of an Ultraviolet Radiation Protective Agent
  申请人：Daniele Stephane

  公开号：US20090104135A1

  公开（公告）日：2009-04-23

  The invention relates to the use of composite material which comprises nanoparticles of a least one metal derivative and at least one organic sunscreen agent which is chemically bound with said particles in a covalent manner in the form of an ultraviolet radiation protective agent containing the inventive composite material. Cosmetic ultraviolet radiation protective compositions comprises said mixture are also disclosed.

  该发明涉及使用复合材料，该复合材料包括至少一种金属衍生物的纳米颗粒和至少一种有机防晒剂，该有机防晒剂以共价方式与所述颗粒化学结合，形成一种含有所述创新复合材料的紫外辐射防护剂。还公开了包含所述混合物的化妆品紫外辐射防护组合物。
• [DE] UV-FILTER<br/>[EN] UV FILTER<br/>[FR] FILTRE UV
  申请人：MERCK PATENT GMBH

  公开号：WO2006018104A1

  公开（公告）日：2006-02-23

  Die Erfindung betrifft Verbindungen nach Formel (I) oder (II) Zubereitungen, die solche Verbindungen enthalten, entsprechende verfahen zur Herstellung der Verbindungen bzw. der diese enthaltenden Zubereitungen und deren Verwendung als Lichtschutzfilter.

  这项发明涉及符合式(I)或(II)的化合物，含有这些化合物的制剂，制备这些化合物或含有它们的制剂的相应方法，以及它们作为光保护过滤器的用途。
• [EN] SYNTHESIS OF ACETAL COMPOUNDS USING ZWITTERIONIC CATALYSTS<br/>[FR] SYNTHÈSE DE COMPOSÉS ACÉTAL À L'AIDE DE CATALYSEURS ZWITTERIONIQUES
  申请人：AGFA GRAPHICS NV

  公开号：WO2015062935A1

  公开（公告）日：2015-05-07

  A process for the preparation of optionally asymmetric acetal compounds, comprising reacting a compound containing a hydroxyl group with a vinylether compound in the presence of a zwitterionic catalyst including at least one basic nitrogen containing structural fragment and at least one sulfonic acid group in its structure, with the proviso that the basic nitrogen on sulfonic acid molar ratio is 1 over 1.

  一种制备可选择性不对称缩醛化合物的方法，包括在带有至少一个碱性氮结构基团和至少一个磺酸基团的偶极催化剂存在下，将含有羟基的化合物与乙烯基醚化合物反应，但碱性氮和磺酸的摩尔比为1比1。
• Uv Filters
  申请人：Carola Christophe

  公开号：US20080038213A1

  公开（公告）日：2008-02-14

  The invention relates to compounds of the formula (I) or (II), to compositions which comprise such compounds, to corresponding processes for the preparation of the compounds or the compositions comprising same, and to the use thereof as light-protection filters.

  本发明涉及式（I）或（II）化合物，包括这些化合物的组合物，制备这些化合物或包含它们的组合物的相应过程，以及将它们用作光保护过滤器的用途。
• UV filters
  申请人：Merck Patent GmbH

  公开号：US07863478B2

  公开（公告）日：2011-01-04

  The invention relates to compounds of the formula (I) or (II), to compositions which comprise such compounds, to corresponding processes for the preparation of the compounds or the compositions comprising same, and to the use thereof as light-protection filters.

  本发明涉及公式（I）或（II）化合物，包括此类化合物的组合物，制备化合物或包含其的组合物的相应过程，以及将其用作光保护过滤器的用途。