1-(3-phenyl-isoxazol-5-yl)-propan-1-one | 104179-49-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-phenyl-isoxazol-5-yl)-propan-1-one
• 英文别名: 1-(3-Phenyl-isoxazol-5-yl)-propan-1-on；5-propionyl-3-phenylisoxazole；1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
• CAS: 104179-49-9
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: GJFHPYWSYQKGOE-UHFFFAOYSA-N

物化性质

• 沸点：
  381.5±30.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-phenyl-isoxazol-5-yl)-propan-1-one 在 potassium permanganate 、 丙酮 作用下， 生成 3-苯基异恶唑-5-羧酸
  参考文献：
  名称：

  Gruenanger; Mangiapan, Gazzetta Chimica Italiana, 1958, vol. 88, p. 149,156

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲腈 N-氧化物 、 (E)-1-氯戊-1-烯-3-酮 在 sodium methylate 作用下， 生成 1-(3-phenyl-isoxazol-5-yl)-propan-1-one
  参考文献：
  名称：

  Gruenanger; Mangiapan, Gazzetta Chimica Italiana, 1958, vol. 88, p. 149,156

  摘要：

  DOI：

文献信息

• SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF
  申请人：Blackburn Christopher

  公开号：US20110212969A1

  公开（公告）日：2011-09-01

  This invention provides compounds of formula (I): wherein ring A, X 1 , X 2 , X 3 , R 2 , R 4b , R 10 , and G have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention, and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  这项发明提供了式（I）的化合物： 其中环A、X1、X2、X3、R2、R4b、R10和G的取值如规范中所述，可用作HDAC6的抑制剂。该发明还提供了包括该发明化合物的药物组合物，以及在治疗增殖性、炎症性、感染性、神经系统或心血管疾病或紊乱中使用该组合物的方法。
• Preparation process of aminoketones
  申请人：Mitsui Toatsu Chemicals, Incorporated

  公开号：US05055585A1

  公开（公告）日：1991-10-08

  Novel aminoketones useful as central muscle relaxants and their preparation processes are disclosed. The disclosed processes are novel processes which do not use any heavy metal in view of the facts that their products are will be used as drugs and which require no complex purification step such as liberation of the aminoketones from their hydrochlorides or the like.

  本发明公开了一种作为中枢肌肉松弛剂有用的新型氨基酮及其制备过程。所公开的过程是新型过程，不使用任何重金属，因为其产品将被用作药物，并且不需要复杂的纯化步骤，例如从其盐酸盐或类似物中释放氨基酮。
• Aminoketone derivatives and use thereof
  申请人：Mitsui Toatsu Chemicals Incorporated

  公开号：US05602160A1

  公开（公告）日：1997-02-11

  Aminoketone derivative compounds containing a heterocyclic ring bonded to an aminoketone moiety and useful as effective ingredients of centrally acting muscle relaxants and pollakiurea curing agents. (+)3-phenyl-5-[2-(1-pyrrolidinylmethyl)butyryl] isoxazole, which has a more remarkable central muscle relaxant action as compared with its racemic modification, can be effectively separated from the racemic modification using optically active 10-camphorsulfonic acid as the agent for the optical resolution.

  含有杂环环与氨基酮基团键合的氨基酮衍生物化合物，可用作中枢作用肌肉松弛剂和多尿症治疗剂的有效成分。与其外消旋异构体相比，具有更显著的中枢肌肉松弛作用的(+)3-苯基-5-[2-(1-吡咯烷基)丁酰基]异噁唑可以通过使用光学活性的10-樟脑磺酸作为光学分辨剂有效地与其外消旋异构体分离。
• Aminoketone derivative and use thereof
  申请人：Mitsui Toatsu Chemicals, Incorporated

  公开号：US05498619A1

  公开（公告）日：1996-03-12

  Aminoketone derivative compounds containing a heterocyclic ring bonded to an aminoketone moiety and useful as effective ingredients of centrally acting muscle relaxants and pollakiurea curing agents. (+)3-phenyl-5-[2-(1-pyrrolidinylmethyl)butyryl]isoxazole, which has a more remarkable central muscle relaxant action as compared with its racemic modification, can be effectively separated from the racemic modification using optically active 10-camphorsulfonic acid as the agent for the optical resolution.

  含有杂环环的氨基酮衍生物化合物，与氨基酮基团结合，并用作中枢作用肌肉松弛剂和治疗多尿症的有效成分。 (+)3-苯基-5-[2-(1-吡咯烷基)丁酰基]异噁唑具有比其外消旋异构体更显著的中枢肌肉松弛作用，可以使用光学活性的10-樟脑磺酸作为光学分辨剂，有效地将其与外消旋异构体分离。
• Aminoketone derivatives of 1,2-oxazole and use thereof
  申请人：Mitsui Toatsu Chemicals Incorporated

  公开号：US05338857A1

  公开（公告）日：1994-08-16

  Aminoketone derivative compounds containing a heterocyclic ring bonded to an aminoketone moiety and useful as effective ingredients of centrally acting muscle relaxants and pollakiurea curing agents. (+)3-phenyl-5-[2-(1-pyrrolidinylmethyl)butyryl]isoxazole, which has a more remarkable central muscle relaxant action as compared with its racemic modification, can be effectively separated from the racemic modification using optically active 10-camphorsulfonic acid as the agent for the optical resolution.

  含有杂环环和氨基酮基团的氨基酮衍生物化合物，可作为中枢作用肌肉松弛剂和治疗排尿频繁的药剂。(+)-3-苯基-5-[2-(1-吡咯烷基)丁酰基]异噁唑与其外消旋异构体相比，具有更显著的中枢肌肉松弛作用，可以使用光学活性的10-樟脑磺酸作为光学分辨剂有效地分离出来。