3-hydroxy-4-phenylbutanoic acid | 6828-41-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-hydroxy-4-phenylbutanoic acid
• CAS: 6828-41-7
• 化学式: C₁₀H₁₂O₃
• mdl: MFCD16302029
• 分子量: 180.203
• InChiKey: OLQHWMVTGZBGLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-phenylbutanoic acid 在 乙酸酐 作用下， 生成 (E)-4-苯基-2-丁烯酸
  参考文献：
  名称：

  Linstead; Williams, Journal of the Chemical Society, 1926, p. 2745

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯基-3-丁烯酸 在 sodium hydroxide 作用下， 生成 3-hydroxy-4-phenylbutanoic acid
  参考文献：
  名称：

  Linstead; Williams, Journal of the Chemical Society, 1926, p. 2745

  摘要：

  DOI：

文献信息

• Catalyst composition for hydrogenation and method for hydrogenation using the same
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10016749B2

  公开（公告）日：2018-07-10

  A catalyst composition for hydrogenation including (A) to (D), in which a mass ratio ((C)/(A)) is 0.1 to 4.0 and a mass ratio ((D)/(A)) is 0.01 to 1.00, (A): a titanocene compound represented by formula (1), (wherein R5 and R6 are any group selected from hydrogen, a hydrocarbon group having 1 to 12 carbon atoms, an aryloxy group, an alkoxy group, a halogen group, and a carbonyl group. R1 and R2 are any group selected from the group consisting of hydrogen and a hydrocarbon group having 1 to 12 carbon atoms, and R1 and R2 are not all hydrogen atoms or all a hydrocarbon group having 1 to 12 carbon atoms), (B): a reductant formed from a compound containing an element selected from the elements Li, Na, K, Mg, Zn, Al, and Ca, (C): an unsaturated compound having a molecular weight of 400 or less, and (D): a polar compound.

  一种用于加氢的催化剂组合物，包括(A)至(D)，其中质量比((C)/(A))为0.1至4.0，质量比((D)/(A))为0.01至1.00， (A)：由公式(1)表示的钛环戊二烯基化合物， （其中R5和R6是从氢、具有1至12个碳原子的烃基、芳氧基、烷氧基、卤素基和羰基中选择的任何基团。R1和R2是从氢和具有1至12个碳原子的烃基组成的组中选择的任何基团，且R1和R2不全是氢原子或全部为具有1至12个碳原子的烃基）， (B)：由含有选自Li、Na、K、Mg、Zn、Al和Ca元素的化合物的还原剂形成， (C)：分子量400或以下的非饱和化合物，以及 (D)：极性化合物。
• Aldol-type Reactions of Unmasked Iodoacetic Acid with Carbonyl Compounds Promoted by Samarium Diiodide:  Efficient Synthesis of Carboxylic 3-Hydroxyacids and Their Derivatives
  作者：José M. Concellón、Carmen Concellón

  DOI：10.1021/jo060118j

  日期：2006.6.1

  An easy, direct, general, and efficient samarium diiodide-mediated preparation of 3-hydroxyacids 1 in high yield by reaction of different aldehydes or ketones with commercially available iodoacetic acid is described. The application of different esterification procedures to the crude 3-hydroxyacids so obtained afforded the corresponding 3-hydroxyesters. Also, the cyclization of crude 3-hydroxycarboxylic

  本发明描述了一种简单，直接，通用和有效的由二碘化mar介导的3-羟基酸1的制备方法，该方法通过使不同的醛或酮与市售碘乙酸反应而以高收率进行制备。对如此获得的粗3-羟基酸应用不同的酯化方法，得到相应的3-羟基酯。同样，粗制的3-羟基羧酸的环化允许制备β-内酯。提出了一种机制来解释3-羟基酸1的合成。
• Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor
  申请人：Miyazaki Susumu

  公开号：US20050054645A1

  公开（公告）日：2005-03-10

  The present invention relates to a nitrogen-containing fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, and an anti-HIV agent containing such compound. The compound of the present invention has an HIV integrase inhibitory activity, and is useful as an agent for the prophylaxis or treatment of AIDS, or as an anti-HIV agent. In addition, by the combined use with other anti-HIV agents such as a protease inhibitor, a reverse transcriptase inhibitor and the like, it can be a more effective anti-HIV agent. Becuae it shows integrase-specific high inhibitory activity, the compound can be a pharmaceutical agent safe on human body, which causes only a fewer side effects.

  本发明涉及一种由下式[I]所表示的含氮融合环化合物，其中每个符号如规范中定义，或其药学上可接受的盐，以及含有该化合物的抗HIV剂。本发明的化合物具有HIV整合酶抑制活性，并可用作预防或治疗艾滋病的药剂，或作为抗HIV剂。此外，通过与其他抗HIV剂（如蛋白酶抑制剂、逆转录酶抑制剂等）的联合使用，可使其成为更有效的抗HIV剂。由于显示出整合酶特异性高抑制活性，该化合物可作为对人体安全的药物剂，仅引起较少的副作用。
• Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester
  申请人：——

  公开号：US20030225301A1

  公开（公告）日：2003-12-04

  A process for producing an optically active 3-azide-carboxylic acid ester by reacting an optically active 3-hydroxycarboxylic acid ester and a thionyl halide in the presence of a basic substance in an organic solvent to produce an optically active 3-halogenocarboxylic acid ester which is then reacted with an azide salt represented by the formula: MN 3 (wherein M is an alkaline metal) in water or a mixture of water and a water soluble organic solvent.

  通过在有机溶剂中，在碱性物质存在下，将光学活性的3-羟基羧酸酯和硫酰卤在一起反应，产生光学活性的3-卤代羧酸酯，然后将其与由公式表示的偶氮盐（其中M是碱性金属）在水或水和水溶性有机溶剂的混合物中反应，从而生产光学活性的3-偶氮基羧酸酯的方法。
• 호모세린 락톤 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 치주질환의 예방 또는 치료용 약학적 조성물
  申请人：Seoul National University R&DB Foundation 서울대학교산학협력단(120070509242) Corp. No ▼ 114371-0009224BRN ▼119-82-03684

  公开号：KR101672829B1

  公开（公告）日：2016-11-07

  본 발명은 호모세린 락톤 유도체, 이의 광학 이성질체, 또는 이의 약학적으로 허용 가능한 염에 관한 것으로, 본 발명에 따른 호모세린 락톤 유도체는 세균 간의 의사소통을 방해하는 퀴럼센싱 길항제로서 우수한 성능을 갖는다. 이에 따라, 세균의 유전자 발현을 방해하여, 항생제에 대한 내성을 키우는 것으로 알려진 생물막(biofilm)의 형성을 효과적으로 차단할 수 있고, 세균들의 번식을 저지할 수 있으므로, 본 발명에 따른 호모세린 락톤 유도체는 치주질환의 예방 또는 치료용 약학적 조성물로 유용하게 사용할 수 있다.

  本发明涉及同源半胱氨酸内酯衍生物，其光学异构体或其药学上可接受的盐，根据本发明的同源半胱氨酸内酯衍生物作为一种优异的干扰细菌间通讯的群体感应抑制剂。因此，根据本发明，通过干扰细菌基因的表达，可以有效阻止被认为会增加抗生素耐药性的生物膜的形成，同时可以阻止细菌的繁殖，因此，根据本发明的同源半胱氨酸内酯衍生物可用作预防或治疗牙周疾病的药学组合物。