2-acetoxymethyl-2-(3-benzoylphenyl)propionic acid | 856892-96-1

• 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: 2-acetoxymethyl-2-(3-benzoylphenyl)propionic acid
• 英文别名: 2-acetoxymethyl-2-(3-benzoylphenyl)propanoic acid；3-Acetyloxy-2-(3-benzoylphenyl)-2-methylpropanoic acid；3-acetyloxy-2-(3-benzoylphenyl)-2-methylpropanoic acid
• CAS: 856892-96-1
• 化学式: C₁₉H₁₈O₅
• 分子量: 326.349
• InChiKey: NJIRHBQKQPEVPH-UHFFFAOYSA-N

物化性质

• 沸点：
  507.0±45.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-acetoxymethyl-2-(3-benzoylphenyl)propionic acid 以 phosphate buffer 为溶剂， 生成 phenyl(3-(prop-1-en-2-yl)phenyl)methanone
  参考文献：
  名称：

  Carbanion-Mediated Photocages:  Rapid and Efficient Photorelease with Aqueous Compatibility

  摘要：

  A new photocage is proposed, based on ketoprofen-derived compounds and mediated by carbanions. The new photocage has significant advantages over the widely used o-nitrobenzyl derivatives, including aqueous compatibility, faster photorelease, higher quantum yield, and innocuous byproducts. The photorelease of ibuprofen illustrates the properties of the new photocage.

  DOI：

  10.1021/ja0517062
• 作为产物：
  描述：

  酮基布洛芬 在 4-二甲氨基吡啶 、 sodium hydride 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 mineral oil 为溶剂， 反应 14.5h， 生成 2-acetoxymethyl-2-(3-benzoylphenyl)propionic acid
  参考文献：
  名称：

  通过苯甲酰碳负离子途径，但不通过双自由基途径，光触发释放酮洛芬衍生物中的离去基团

  摘要：

  2-乙酰氧基甲基-2-（3-苯甲酰基苯基）丙酸（KP-OAc）作为模型来阐明酮洛芬（KP）的溶剂介导的光化学机理。在水浓度低的溶液中，KP-OAc表现出类似二苯甲酮的光化学反应，它通过某种反应与水分子反应形成酮基自由基中间体。在与水或酸性溶液的高浓度中性溶液，KP-OAC经受与水分子的协助或用高氯酸的催化直接产生不能诱导phototrigger反应以释放ACO的双基中间体photodecarboxylation反应-团体。因此，在相同种类的溶液中，KP-OAc的双自由基中间体的寿命几乎与KP形成的双自由基中间体的寿命相同。然而，KP-OAC的在磷酸盐缓冲溶液中的photodecarboxylation直接产生苄负碳离子中间体，其可诱导phototrigger反应以释放ACO -团体。因此，KP-OAc的双自由基中间体的寿命明显短于磷酸盐缓冲溶液中KP的双自由基中间体的寿命。有趣的是，对KP

  DOI：

  10.1002/chem.201300285

文献信息

• BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160122292A1

  公开（公告）日：2016-05-05

  It is a subject of the present invention to provide a base generator which has high solubility to general-purpose organic solvents, can dissolve directly into a base-reactive compound, such as an epoxy-based compound, further is provided with both performance of high heat resistance and low nucleophilicity, and generates a strong base, a base-reactive composition comprising the base generator and a base-reactive compound, as well as a method for generating a base, etc. The present invention relates to a compound represented by the general formula (A), a base generator comprising the compound, a base-reactive composition which comprises the base generator and a base-reactive compound, as well as a method for generating a base, etc. (wherein R 1 to R 5 each independently represent a hydrogen atom; an alkyl group; an aryl group which may have a substituent; or an arylalkyl group which may have a substituent, R 6 represents a hydrogen atom; an alkyl group which may have a substituent; an alkenyl group; an alkynyl group; an aryl group which may have a substituent; or an arylalkyl group which may have a substituent, R 7 represents a hydrogen atom; an alkyl group which may have an amino group; an aryl group which may have a substituent; or an arylalkyl group which may have a substituent, and Z − represents an anion derived from a carboxylic acid having a specific structure.)

  本发明的一个目的是提供一种基发生剂，其对通用有机溶剂具有高溶解度，可以直接溶解为一种碱反应性化合物，例如基于环氧树脂的化合物，进一步具有高耐热性和低亲核性的性能，并生成强碱，包括基发生剂和碱反应性化合物的碱反应性组合物，以及生成碱的方法等。本发明涉及一种由通式（A）表示的化合物，包括该化合物的基发生剂，包括基发生剂和碱反应性化合物的碱反应性组合物，以及生成碱的方法等。（其中R1至R5各自独立地表示氢原子；烷基基团；可能具有取代基的芳基团；或可能具有取代基的芳基烷基基团，R6表示氢原子；可能具有取代基的烷基基团；烯基基团；炔基基团；可能具有取代基的芳基团；或可能具有取代基的芳基烷基基团，R7表示氢原子；可能具有氨基的烷基基团；可能具有取代基的芳基团；或可能具有取代基的芳基烷基基团，Z-表示从具有特定结构的羧酸衍生的阴离子。）
• Base generator, base-reactive composition containing said base generator, and base generation method
  申请人：FUJIFILM Wako Pure Chemical Corporation

  公开号：US10428014B2

  公开（公告）日：2019-10-01

  The present invention relates to a compound represented by the general formula (A), a base generator comprising the compound, a base-reactive composition which comprises the base generator and a base-reactive compound, as well as a method for generating a base, etc.

  本发明涉及通式（A）代表的化合物、包含该化合物的碱生成器、包含碱生成器和碱反应化合物的碱反应组合物，以及生成碱的方法等。
• Phototriggered Release of a Leaving Group in Ketoprofen Derivatives via a Benzylic Carbanion Pathway, But not via a Biradical Pathway
  作者：Ming-De Li、Tao Su、Jiani Ma、Mingyue Liu、Han Liu、Xuechen Li、David Lee Phillips

  DOI：10.1002/chem.201300285

  日期：2013.8.19

  exhibits a benzophenone‐like photochemistry, reacting with water molecules through some reaction to form a ketyl radical intermediate. In neutral solutions with a high concentration of water or acidic solutions, KP‐OAc undergoes a photodecarboxylation reaction with the assistance of water molecules or with the catalysis of perchloric acid to directly generate a biradical intermediate that cannot induce the

  2-乙酰氧基甲基-2-（3-苯甲酰基苯基）丙酸（KP-OAc）作为模型来阐明酮洛芬（KP）的溶剂介导的光化学机理。在水浓度低的溶液中，KP-OAc表现出类似二苯甲酮的光化学反应，它通过某种反应与水分子反应形成酮基自由基中间体。在与水或酸性溶液的高浓度中性溶液，KP-OAC经受与水分子的协助或用高氯酸的催化直接产生不能诱导phototrigger反应以释放ACO的双基中间体photodecarboxylation反应-团体。因此，在相同种类的溶液中，KP-OAc的双自由基中间体的寿命几乎与KP形成的双自由基中间体的寿命相同。然而，KP-OAC的在磷酸盐缓冲溶液中的photodecarboxylation直接产生苄负碳离子中间体，其可诱导phototrigger反应以释放ACO -团体。因此，KP-OAc的双自由基中间体的寿命明显短于磷酸盐缓冲溶液中KP的双自由基中间体的寿命。有趣的是，对KP
• Carbanion-Mediated Photocages:  Rapid and Efficient Photorelease with Aqueous Compatibility
  作者：Matthew Lukeman、Juan C. Scaiano

  DOI：10.1021/ja0517062

  日期：2005.6.1

  A new photocage is proposed, based on ketoprofen-derived compounds and mediated by carbanions. The new photocage has significant advantages over the widely used o-nitrobenzyl derivatives, including aqueous compatibility, faster photorelease, higher quantum yield, and innocuous byproducts. The photorelease of ibuprofen illustrates the properties of the new photocage.