methyl 2-(4-dibutylamino-2-hydroxybenzoyl)benzoate | 302776-69-8

• 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: methyl 2-(4-dibutylamino-2-hydroxybenzoyl)benzoate
• 英文别名: Methyl 2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoate
• CAS: 302776-69-8
• 化学式: C₂₃H₂₉NO₄
• 分子量: 383.488
• InChiKey: KBFZMDPTGCCRAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碳酸二甲酯 、 4-二丁氨基酮酸 在 potassium hydrogencarbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 14.0h， 以92%的产率得到methyl 2-(4-dibutylamino-2-hydroxybenzoyl)benzoate
  参考文献：
  名称：

  碳酸二甲酯催化甲基转移至羧酸

  摘要：

  尽管甲基化反应很普遍，但是当前使用的试剂是危险的，有毒的和/或不稳定的。碳酸二甲酯已被提出为廉价，无毒且“绿色”的潜在甲基化试剂。本文中，我们报道了一般的碱催化的甲基碳酸酯从碳酸二甲酯向羧酸的转移。即使在未保护的苯酚存在下，也观察到了对酯化的高选择性，温和的反应条件使在可差向立体中心处的立体化学得以保留。同位素标记研究表明，机制是通过将甲基直接从碳酸二甲酯转移到底物上来进行的。

  DOI：

  10.1021/jo401941v

文献信息

• SYNERGISTICALLY UV-PHOTOPROTECTING MIXED SUNSCREEN COMPOSITIONS
  申请人：——

  公开号：US20030157038A1

  公开（公告）日：2003-08-21

  Topically applicable cosmetic/dermatological sunscreen composition well suited for the enhanced UV-photoprotection of human skin and/or hair, contain synergistically UV-A PPD -enhancing amounts of (i) at least one UV-screening silicon compound having a benzotriazole functional group substituent, (ii) at least one UV-screening dibenzoylmethane compound, and (iii) at least one UV-screening amino-substituted 2-hydroxybenzophenone compound having the following structural formula (III): 1 formulated into (iv) a topically applicable, cosmetically/dermatologically acceptable vehicle, diluent or carrier therefor.

  这是一种适用于人类皮肤和/或头发增强紫外线防护的局部应用化妆品/皮肤药物防晒剂组合物，其含有协同作用的UV-APPD增强量(i)至少一种具有苯并三唑官能团取代基的UV筛选硅化合物，(ii)至少一种UV筛选二苯甲酰甲烷化合物，以及(iii)至少一种具有以下结构式(III)的UV筛选氨基取代2-羟基苯并苯酮化合物：1，以上配制成(iv)一种局部应用的、在美容/皮肤学上可接受的载体、稀释剂或载体。
• UV-photostabilized sunscreen compositions comprising dibenzoylmethane/triazine/benzophenone compounds
  申请人：——

  公开号：US20030180230A1

  公开（公告）日：2003-09-25

  Topically applicable cosmetic/dermatological sunscreen compositions well suited for the stable UV-photoprotection of human skin and/or hair, are devoid of any p-methylbenzylidenecamphor, but which contain (a) an effective photoprotecting amount of at least one UV-sunscreening dibenzoylmethane compound, (b) an effective photoprotecting amount of at least one UV-screening 1,3,5-triazine compound normally photosensitive in the presence of a dibenzoylmethane compound (a), and (c) an effective photostabilizing amount of at least one UV-screening amino-substituted 2-hydrozybenzophenone compound having the following structural formula (VIII): 1 formulated into (d) a topically applicable, cosmetically/dermatologically acceptable vehicle, diluent or carrier therefor.

  适用于稳定的紫外线光保护人类皮肤和/或头发的局部应用化妆品/皮肤药物防晒组合物，不含任何对甲基苯甲酰基樟脑，但包含（a）至少一种有效的光保护量的紫外线防晒二苯甲酮化合物，（b）至少一种有效的光保护量的紫外线筛选1,3,5-三嗪化合物，通常在存在二苯甲酮化合物（a）时对光敏感，以及（c）至少一种有效的光稳定剂量的紫外线筛选氨基取代的2-羟基苯基酮化合物，具有以下结构式（VIII）：1，配制成（d）局部适用的，化妆品/皮肤药物可接受的载体，稀释剂或载体。
• Synergistically UV-photoprotecting sunscreen compositions comprising camphorsulfonic acid/benzophenone compounds
  申请人：——

  公开号：US20030161794A1

  公开（公告）日：2003-08-28

  Topically applicable cosmetic/dermatological sunscreen compositions well suited for the enhanced UV-photoprotection of human skin and/or hair, contain synergistically SPF-enhancing amounts of (a) benzene-1,4-di(3-methylidene-10-camphorsulfonic acid), optionally in partially or completely neutralized state, and (b) at least one amino-substituted 2-hydroxybenzophenone compound having the following structural formula (I): 1 formulated into (c) a topically applicable, cosmetically/dermatologically acceptable vehicle, diluent or carrier therefor.

  适用于增强人类皮肤和/或头发的紫外线光保护的局部适用的化妆品/皮肤学防晒剂组合物，含有具有协同增强SPF量的(a)苯乙烯-1,4-二（3-甲基亚甲基-10-樟脑磺酸），可选地处于部分或完全中和状态，和(b)至少一种具有以下结构式（I）的氨基取代的2-羟基苯酚衍生物：1，配制成(c)局部适用的、化妆品/皮肤学上可接受的载体、稀释剂或载体。
• UV-photostabilized sunscreen compositions comprising dibenzoylmethane/benzophenone compounds
  申请人：——

  公开号：US20030161793A1

  公开（公告）日：2003-08-28

  Topically applicable cosmetic/dermatological sunscreen compositions well suited for the stable UV-photoprotection of human skin and/or hair are devoid of any p-methylbenzylidenecamphor, but contain (a) an effective photoprotecting amount of at least one UV-screening dibenzoylmethane compound, and (b) an effective photostabilizing amount of at least on UV-screening amino-substituted 2-hydroxybenzophenone compound having the following structural formula (I): 1 formulated into (c) a topically applicable, cosmetically/dermatologically acceptable vehicle, diluent or carrier therefor.

  适用于人类皮肤和/或头发稳定紫外线防护的化妆品/皮肤药物防晒配方不含任何对甲苯基苯甲酮，但包含（a）至少一种有效的紫外线屏蔽二苯甲酮化合物的光保护量，以及（b）至少一种有效的光稳定量的氨基取代的2-羟基苯基酮化合物，具有以下结构式（I）：1配制成（c）适用于局部涂抹的、在美容/皮肤学上可接受的载体、稀释剂或载体。
• STABLE/IMPROVEDLY SELF-TANNING COMPOSITIONS COMPRISING AMINO-SUBSTITUTED 2-HYDROXYBENZOPHENONE COMPOUNDS
  申请人：——

  公开号：US20030129152A1

  公开（公告）日：2003-07-10

  Topically applicable cosmetic/dermatological self-tanning compositions well suited for enhancing the coloration imparted by and/or the stabilizing of the self-tanning agent, contain (i) an effective amount of at least one artificial/sunless tanning agent, and (ii) an effective stabilizing/enhancedly self-tanning amount of at least one amino-substituted 2-hydroxybenzophenone compound having the following structural formula (I): 1 formulated into (iii) a topically applicable, cosmetically/dermatologically acceptable vehicle, diluent or carrier therefor.

  适用于皮肤的化妆品/皮肤科自我晒黑配方，适合增强自我晒黑剂的着色效果和/或稳定作用，含有（i）至少一种人工/无阳光晒黑剂的有效量，以及（ii）至少一种氨基取代的2-羟基苯基酮化合物的有效稳定/增强自我晒黑量，具有以下结构式（I）：配制成（iii）适用于皮肤的、化妆学/皮肤学可接受的载体、稀释剂或载体。