3-[(4-羟基苯基)甲基]戊烷-2,4-二酮 | 15451-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-[(4-羟基苯基)甲基]戊烷-2,4-二酮
• 英文名称: 3-(4-Hydroxybenzyl)-1,3-pentandion
• 英文别名: 3-<(4-Hydroxyphenyl)methyl>pentane-2,4-dione；3-(4'-Hydroxybenzyl)-2,4-pentandion；3-<4-Hydroxy-benzyl>-pentan-2,4-dion；3-(4-hydroxy-benzyl)-pentane-2,4-dione；3(4'-HYDROXYBENZYL)-2,4-PENTANEDIONE；2,4-Pentanedione, 3-(p-hydroxybenzyl)-；3-[(4-hydroxyphenyl)methyl]pentane-2,4-dione
• CAS: 15451-07-7
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: MBZXRIRFJPWKHP-UHFFFAOYSA-N

物化性质

• 熔点：
  69 °C
• 沸点：
  347.7±27.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(4-羟基苯基)甲基]戊烷-2,4-二酮 在 盐酸羟胺 、 sodium acetate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 Methylcarbaminsaeure-<4-(3,5-dimethylisoxazol-4-ylmethyl)phenylester>
  参考文献：
  名称：

  Kuebel, Boerries, Liebigs Annalen der Chemie, 1980, # 9, p. 1392 - 1401

  摘要：

  DOI：
• 作为产物：
  描述：

  氯甲酸对甲苯 在 磺酰氯 、 苯甲酰胺 、 三乙胺 、 三氯化磷 、 过氧化苯甲酰 作用下， 生成 3-[(4-羟基苯基)甲基]戊烷-2,4-二酮
  参考文献：
  名称：

  Reaction of aryl chloroformates with dimethylformamide. Facile in situ synthesis of .alpha.-chlorocresols

  摘要：

  DOI：

  10.1021/jo01267a031

文献信息

• Reactivity of new precursors of quinone methides
  作者：Bernard Loubinoux、Joseph Miazimbakana、Philippe Gerardin

  DOI：10.1016/s0040-4039(00)99619-9

  日期：1989.1

  The azidomethylene protecting group allows the synthesis of unstable phenolic compounds which are used as quinone methide precursors in the alkylations of alcohols, phenols, azide, thiophenol, amines, enols and enolates.

  叠氮基亚甲基保护基团允许合成不稳定的酚类化合物，在醇，酚，叠氮化物，硫酚，胺，烯醇和烯醇化物的烷基化中用作醌甲基化物前体。
• Immonium salts and derivatives thereof
  申请人：Hooker Chemicals & Plastics Corporation

  公开号：US04069340A1

  公开（公告）日：1978-01-17

  There are provided: novel aryloxy immonium salts, prepared by the reaction of their corresponding haloformates with amides; and phenolic compositions corresponding to the aryloxy immonium salts. These novel aryloxy immonium salts and their corresponding phenolic compositions have utility as chemical intermediates, antioxidants, stabilizers and antibacterials.

  提供了：通过它们相应的卤甲酸酯与酰胺反应制备的新颖芳氧基亚胺盐；以及与芳氧基亚胺盐相对应的酚类组合物。这些新颖的芳氧基亚胺盐及其相应的酚类组合物可用作化学中间体、抗氧化剂、稳定剂和抗菌剂。
• [EN] TRIAZINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES DE TRIAZINE ET LEUR UTILISATION
  申请人：NOVO PHARMACEUTICALS LTD DE

  公开号：WO2004096808A1

  公开（公告）日：2004-11-11

  A compound of formula (I) wherein R1 is hydrogen, alkyl, -alkyl-aryl, -alkyl-heterocycloalkyl or -alkyl-0-heterocycloalkyl; R2 is hydrogen, hydroxy, amino, nitro, alkoxy, alkyl, aryl or heteroaryl; R3 is hydrogen, alkyl or aryl; R4 is hydrogen, alkyl, aryl, heteroaryl, -CH(aryl)2, -alkyl-aryl or -C(0)0-alkyl; and R5 is alkyl, hydroxy or amino; or a pharmaceutically acceptable salt thereof; is new for use in therapy, e.g. in the treatment of Alzheimer's disease.

  式（I）的化合物中，其中R1是氢，烷基，-烷基-芳基，-烷基-杂环烷基或-烷基-0-杂环烷基；R2是氢，羟基，氨基，硝基，烷氧基，烷基，芳基或杂芳基；R3是氢，烷基或芳基；R4是氢，烷基，芳基，杂芳基，-CH（芳基）2，-烷基-芳基或-C（0）0-烷基；R5是烷基，羟基或氨基；或其药用可接受盐；用于治疗，例如用于治疗阿尔茨海默病。
• Pyrazole derivatives and compositions and methods of use as maillard
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US05453514A1

  公开（公告）日：1995-09-26

  A Maillard reaction inhibitor containing, as an active ingredient, an amidinoheterocyclic derivative or its pharmaceutically acceptable salt, which is useful for the prevention and/or cure of various complications of diabetes and maturity-onset disorders. The amidinoheterocyclic derivatives are also useful as Maillard reaction inhibitors for cosmetics, external endermic medicines, foods, drinks, luxury grocery items and functional foods.

  一种含有阿米烯杂环衍生物或其药用可接受盐的美拉德反应抑制剂，作为活性成分，可用于预防和/或治疗糖尿病和成熟起始障碍的各种并发症。这些阿米烯杂环衍生物也可作为美拉德反应抑制剂用于化妆品、外用内皮药物、食品、饮料、奢侈杂货和功能性食品。
• Light emitting material and organic light-emitting device
  申请人：——

  公开号：US20040247934A1

  公开（公告）日：2004-12-09

  A polymer light emitting material, wherein the material has a light emitting mechanism based on transition from an excited triplet state to a ground state or transition through an excited triplet state to a ground state of an electron energy level, and the material comprises a nonionic light emitting part which constitutes a part of the polymer or is bound to the polymer. The polymer light emitting material exhibits high light emission efficiency above 5%, which is the limit of external quantum efficiency of fluorescence and can be designed so as to have a large area and hence are suitable for mass production of organic light emitting devices.

  一种聚合物发光材料，该材料具有基于从激发的三重态到基态的跃迁或通过激发的三重态到电子能级基态的跃迁的发光机制，并且该材料包括构成聚合物一部分或与聚合物结合的非离子发光部分。该聚合物发光材料表现出高于5％的高发光效率，这是荧光外部量子效率的极限，并且可以设计成具有大面积，因此适合大规模生产有机发光器件。