(4E)-2-methyl-4-(4-methylbenzylidene)-1,3-oxazol-5(4H)-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4E)-2-methyl-4-(4-methylbenzylidene)-1,3-oxazol-5(4H)-one
• 英文别名: (4E)-2-methyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: DRSAXSPSSHVKSE-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基-(4z)-(41-甲苯亚甲基)-5(4H)-恶唑酮 以 乙腈 为溶剂， 以25%的产率得到(4E)-2-methyl-4-(4-methylbenzylidene)-1,3-oxazol-5(4H)-one
  参考文献：
  名称：

  Benzylidene–oxazolones as photoswitches: photochemistry and theoretical calculations

  摘要：

  The photophysics and photochemistry of a family of compounds proposed as efficient molecular photoswitches is presented. The effect of different light sources, substituents and solvents in the photostationary state has been explored. A detailed mechanistic description is also discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.009

文献信息

• Method of treating resistant tumors
  申请人：Wyeth Holdings Corporation

  公开号：US20040121965A1

  公开（公告）日：2004-06-24

  The invention provides a method of treating or inhibiting the growth of or eradicating a tumor in a mammal in need thereof wherein said tumor is resistant to at least one chemotherapeutic agent which method comprises providing to said mammal an effective amount of a compound of Formula II or a pharmaceutically acceptable salt thereof.

  本发明提供了一种治疗或抑制哺乳动物体内对至少一种化疗药物产生耐药性的肿瘤生长或根除肿瘤的方法，该方法包括向该哺乳动物提供有效量的公式II化合物或其药学上可接受的盐。
• Process for producing N-acylphenylalanines
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0161796A1

  公开（公告）日：1985-11-21

  An N-acyl-substituted or unsubstituted phenylalanine is prepared by hydrolyzing a 2-substituted-4-substituted or unsubstituted benzylidene-5-oxazolone with an alkali, adjusting the reaction system containing its hydrolysis product with acid to a pH of 5 - 9 and reducing the resultant reaction solution catalytically in the presence of a palladium or platinum reducing catalyst. The reduction is carried out continuously without isolating the alkaline hydrolysis product, i.e., a substituted or unsubstituted N-acylaminocinnamic acid from the reaction system. The catalyst can be recovered after completion of the reduction and used repeatedly without additional treatment and without any observed lowering in its catalytic activity. Accordingly, the reductions using the recovered catalyst may proceed at pratically the same rate as reductions using a fresh catalyst.

  一种 N-酰基取代或未取代的苯丙氨酸是通过以下方法制备的：用碱水解 2-取代-4-取代或未取代的亚苄基-5-恶唑酮，用酸将含有其水解产物的反应体系调节到 pH 值为 5 - 9，然后在钯或铂还原催化剂存在下催化还原所得到的反应溶液。还原反应是连续进行的，无需从反应体系中分离出碱性水解产物，即取代或未取代的 N-酰基氨基肉桂酸。 催化剂可在还原完成后回收并重复使用，无需额外处理，也不会降低其催化活性。因此，使用回收催化剂进行还原的速度与使用新催化剂进行还原的速度基本相同。
• US4276288A
  申请人：——

  公开号：US4276288A

  公开（公告）日：1981-06-30
• US4612388A
  申请人：——

  公开号：US4612388A

  公开（公告）日：1986-09-16
• [EN] METHOD OF TREATING RESISTANT TUMORS<br/>[FR] METHODE DE TRAITEMENT DE TUMEURS RESISTANTES
  申请人：WYETH CORP

  公开号：WO2004026293A2

  公开（公告）日：2004-04-01

  The invention provides a method of treating or inhibiting the growth of or eradicating a tumor in a mammal in need thereof wherein said tumor is resistant to at least one chemotherapeutic agents which method comprises providing to said mammal an effective amount of a compound of Formula II or a pharmaceutically acceptable salt thereof.