(Z)-1-phenyl-3-methyl-1,2,3-propanetrione 2-oxime | 98482-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-1-phenyl-3-methyl-1,2,3-propanetrione 2-oxime
• 英文别名: Isonitrosobenzylaceton；(2Z)-2-hydroxyimino-1-phenylbutane-1,3-dione
• CAS: 98482-52-1
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: JVPIIQSFMRUIAP-LUAWRHEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.73
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (Z)-1-phenyl-3-methyl-1,2,3-propanetrione 2-oxime 在 一水合肼 作用下， 以 乙醇 为溶剂， 以97%的产率得到3(5)-methyl-5(3)-phenyl-4-nitrosopyrazole
  参考文献：
  名称：

  Convenient synthesis of 4-amino-3,5-disubstituted pyrazoles in one step from the corresponding diketo oximes

  摘要：

  A convenient one-step protocol for the synthesis of 4-amino-3.5-disubstituted pyrazoles has been developed. This method employs readily available diketo oximes as starting materials. and employs hydrazine hydrate for the cyclization and subsequent reduction of the intermediate nitroso compound. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.01.045
• 作为产物：
  描述：

  1-苯基-1,3-丁二酮 在 亚硝酸丁酯 作用下， 以 四氯化碳 为溶剂， 生成 (Z)-1-phenyl-3-methyl-1,2,3-propanetrione 2-oxime
  参考文献：
  名称：

  Stereochemical assignments for 1-phenyl-1,2,3-butanetrione 2-oxime and related compounds

  摘要：

  DOI：

  10.1021/jo00220a067

文献信息

• PROCESS OF FORMING A PYRROLE COMPOUND
  申请人：Zhong Guofu

  公开号：US20110124881A1

  公开（公告）日：2011-05-26

  Disclosed is a process of forming a pyrrole compound. The process comprises contacting an α-carbonyl oxime compound 1 and an α,β-unsaturated aldehyde 2 R 1 and R 2 in compound 1 are independently selected from the group consisting of H, a silyl-group, an aliphatic group, an alicyclic group, an aromatic group, an arylaliphatic group, and an arylalicyclic group. The aliphatic, alicyclic, aromatic, arylaliphatic, and arylalicyclic groups comprise 0 to about 3 heteroatoms selected from the group N, O, S, Se and Si. R 3 in aldehyde 2 is selected from the group consisting of H, a silyl-group, an aliphatic group, an alicyclic group, an aromatic group, an arylaliphatic group, and an arylalicyclic group. The aliphatic, alicyclic, aromatic, arylaliphatic, and arylalicyclic groups comprise 0 to about 3 heteroatoms selected from the group N, O, S, Se and Si. The α-carbonyl oxime compound 1 an the α,β-unsaturated aldehyde 2 are contacted in a suitable solvent in the presence of a secondary amine. The compounds are contacted for a sufficient period of time to allow the formation of an N-hydroxypyrrole compound 3

  揭示了一种形成吡咯化合物的过程。该过程包括将α-羰基肟化合物1与α，β-不饱和醛2接触。化合物1中的R1和R2分别独立地选自H、硅基团、脂肪基、脂环基、芳香基、芳基脂肪基和芳基脂环基组成的群。脂肪、脂环、芳香、芳基脂肪基和芳基脂环基包括0到约3个来自N、O、S、Se和Si组成的杂原子。醛2中的R3选自H、硅基团、脂肪基、脂环基、芳香基、芳基脂肪基和芳基脂环基组成的群。脂肪、脂环、芳香、芳基脂肪基和芳基脂环基包括0到约3个来自N、O、S、Se和Si组成的杂原子。在适当的溶剂中，在次胺的存在下，将α-羰基肟化合物1和α，β-不饱和醛2接触。这些化合物接触一段足够的时间以允许形成N-羟基吡咯化合物3。
• Reaction of Oxime Derivatives of β-Diketones and β-Ketoesters with Substituted Hydrazides: Novel Synthesis of Nitroso-<b><i>N</i></b>-sulfonyl- and Nitroso-<b><i>N</i></b>-substituted Amino Pyridones
  作者：Galal H. Elgemeie、Ali M. Elzanate

  DOI：10.1081/scc-120021034

  日期：2003.7

  efficient method for the synthesis of a new variety of nitroso-N-arylsulfonylaminated pyridones and nitroso-N-substitutedamino pyridones via the reaction of oxime derivatives of β-diketones and β-ketoesters with N-cyanoacetoarylsulfonylhydrazides and substituted cyanoacetohydrazides has been investigated. The synthetic potential of the method is demonstrated.

  摘要 通过β-二酮和β-酮​​酯的肟衍生物与N-氰基乙酰芳基磺酰肼和取代的氰基乙酰肼反应，合成了一种新型的亚硝基-N-芳基磺酰化吡啶酮和亚硝基-N-取代氨基吡啶酮。调查。证明了该方法的合成潜力。
• METHOD OF TREATING COCCIDIOIDES INFECTION
  申请人：F2G Limited

  公开号：US20200338072A1

  公开（公告）日：2020-10-29

  The invention relates to the therapeutic use of olorofim, 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide in the prevention and treatment of a fungal infection caused by a Coccidioides species.

  这项发明涉及在预防和治疗由Coccidioides物种引起的真菌感染中，利用olorofim，2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺的治疗。
• ANTIFUNGAL AGENTS
  申请人：F2G LIMITED

  公开号：US20170340607A1

  公开（公告）日：2017-11-30

  The invention provides a pyrrole compound, which compound is (a) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamideor a deuterated derivative thereof, or (b) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or a deuterated derivative thereof, or (c) a prodrug of compound (a) or a prodrug of compound (b), or a pharmaceutically acceptable salt or agriculturally acceptable salt of (a), (b) or (c). Also provided are combinations and compositions comprising the compound and known antifungal agents. The invention also relates to the therapeutic use of a compound of the invention in prevention or treatment of fungal diseases. It also relates to the use of: 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, or 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, as an agricultural fungicide.

  本发明提供一种吡咯化合物，该化合物为(a) 2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其氘代衍生物，或(b) 2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其氘代衍生物，或(c) 化合物(a)或化合物(b)的前药，或(a)、(b)或(c)的药学可接受盐或农业可接受盐。还提供了包含该化合物和已知抗真菌药物的组合物和组成物。本发明还涉及在预防或治疗真菌病中使用本发明中化合物的治疗用途。本发明还涉及将2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其农业可接受盐，或2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其农业可接受盐用作农业杀菌剂。
• PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS
  申请人：Flynn Gary A.

  公开号：US20140228367A1

  公开（公告）日：2014-08-14

  The present disclosure relates to compounds of the Formula (I): and pharmaceutically acceptable salts, as kinase modulators, compatible with the Type-II inhibition of kinases.

  本公开涉及式（I）的化合物及其药学上可接受的盐，作为酶调节剂，与激酶的II型抑制相兼容。