3-[[4-(苄氧基)苯基]甲基]戊烷-2,4-二酮 | 160979-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-[[4-(苄氧基)苯基]甲基]戊烷-2,4-二酮
• 英文名称: 3-<<4-(Benzyloxy)phenyl>methyl>pentane-2,4-dione
• 英文别名: 3-(4-benzyloxy-benzyl)-pentane-2,4-dione；3-(4-benzyloxybenzyl)-2,4-pentanedione；3-[(4-Phenylmethoxyphenyl)methyl]pentane-2,4-dione
• CAS: 160979-66-8
• 化学式: C₁₉H₂₀O₃
• 分子量: 296.366
• InChiKey: JAKFLYPJCIBLIB-UHFFFAOYSA-N

物化性质

• 沸点：
  435.9±35.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[[4-(苄氧基)苯基]甲基]戊烷-2,4-二酮 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以32%的产率得到3-[(4-羟基苯基)甲基]戊烷-2,4-二酮
  参考文献：
  名称：

  [EN] TRIAZINE COMPOUNDS AND THEIR USE
  [FR] COMPOSES DE TRIAZINE ET LEUR UTILISATION

  摘要：

  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。

  公开号：

  WO2004096808A1
• 作为产物：
  描述：

  sodium (Z)-4-oxopent-2-en-2-olate 、 1-iodomethyl-4-benzyloxybenzene 以 丁酮 为溶剂， 反应 1.0h， 以67%的产率得到3-[[4-(苄氧基)苯基]甲基]戊烷-2,4-二酮
  参考文献：
  名称：

  Synthesis of 3-Substituted Pentane-2,4-Diones: Valuable Intermediates For Liquid Crystals

  摘要：

  General procedures for the synthesis of six series of 3-substituted pentane-2,4-diones are described. The diones mere used as intermediates in the preparation of pyrazoles, isoxazoles, and coordination complexes whose mesogenic properties have been studied. Nematic and smectic phases have been obtained in a number of cases, and the relationship between molecular structure and mesogenic properties has been explored.

  DOI：

  10.1021/jo00115a023

文献信息

• [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。
• US5453514A
  申请人：——

  公开号：US5453514A

  公开（公告）日：1995-09-26
• Synthesis of 3-Substituted Pentane-2,4-Diones: Valuable Intermediates For Liquid Crystals
  作者：Carlos Cativiela、Jose L. Serrano、Maria M. Zurbano

  DOI：10.1021/jo00115a023

  日期：1995.5

  General procedures for the synthesis of six series of 3-substituted pentane-2,4-diones are described. The diones mere used as intermediates in the preparation of pyrazoles, isoxazoles, and coordination complexes whose mesogenic properties have been studied. Nematic and smectic phases have been obtained in a number of cases, and the relationship between molecular structure and mesogenic properties has been explored.