1-(3,4-Dichlorophenyl)ethan-1-one oxime

• 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: 1-(3,4-Dichlorophenyl)ethan-1-one oxime
• 英文别名: (NE)-N-[1-(3,4-dichlorophenyl)ethylidene]hydroxylamine
• 化学式: C₈H₇Cl₂NO
• 分子量: 204.056
• InChiKey: LMETXBMWXOYVAN-VZUCSPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3,4-Dichlorophenyl)ethan-1-one oxime 在 盐酸 、 potassium tert-butylate 、 水 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.08h， 生成 2-(3,4-dichlorophenyl)benzofuran
  参考文献：
  名称：

  可扩展，无过渡金属的直接肟O-芳构化：快速获得O-芳基羟胺和取代的苯并[b]呋喃

  摘要：

  通过无过渡金属的O-芳基化反应从廉价和廉价的肟中生成的O-芳基肟可以水解为O-芳基羟胺，也可以通过对环境有益的单锅[3]方便地转化为结构多样的苯并[ b ]呋喃。 ，3]-σ重排/环化序列。

  DOI：

  10.1002/chem.201403519
• 作为产物：
  描述：

  3,4-二氯苯乙酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 1-(3,4-Dichlorophenyl)ethan-1-one oxime
  参考文献：
  名称：

  通过 C-C/C-H 激活吲哚与芳基酮的 C3-芳基化

  摘要：

  吲哚与芳基酮的 C3-芳基化是通过钯催化的配体促进的 Ar-C(O) 裂解和随后的吲哚的 C-H 芳基化来完成的。各种（杂）芳基酮在该反应中相容，以中等至良好的产率提供相应的 3-芳基吲哚。在天然产物脱氧雌酮和吴茱萸碱中进一步引入吲哚部分证明了该协议的合成效用。

  DOI：

  10.1039/d1cc03954g

文献信息

• [EN] CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] CERTAINS INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI INC

  公开号：WO2010017132A1

  公开（公告）日：2010-02-11

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化学实体。还提供了包括至少一种化学实体和一种或多种药用载体的药物组合物。描述了治疗对KMO活性抑制产生反应的患有某些疾病和疾病的患者的方法，包括向这些患者施用至少一种有效减少疾病或疾病症状的化学实体的数量。这些疾病包括亨廷顿病等神经退行性疾病。还描述了治疗方法，包括单独使用至少一种化学实体或将至少一种化学实体与一种或多种其他治疗剂结合使用。还提供了筛选能够抑制KMO活性的化合物的方法。
• Oxime derivative and bactericide containing the same as active ingredient
  申请人：——

  公开号：US20020032227A1

  公开（公告）日：2002-03-14

  A compound represented by general formula (I) or a salt thereof, a process for producing the same, an intermediate for the production thereof, and a bactericide (fungicide) containing the same as the active ingredient wherein R 1 represent optionally substituted aryl, optionally substituted heterocycle, mono- or di-substituted methyleneamino, optionally substituted (substituted imino)methyl, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl, substituted carbonyl or substituted sulfonyl; R 2 represents alkyl, alkenyl, alkynyl or cycloalkyl; R 3 represents optionally substituted heterocycle; R 4 represents hydrogen, alkyl, alkoxy, halogen, nitro, cyano or haloalkyl; M represents oxygen, S(O)i (i being 0, 1 or 2), NR 16 (R 16 being hydrogen, alkyl or acyl) or a single bond; n represents 0 or 1, provided n represent 1 when R 3 represents imidazol-1-yl or 1H-1,2,4-triazol-1-yl; and the symbol˜represents the E form, Z form or a mixture thereof.

  一种由通式（I）表示的化合物或其盐，其制备方法，其制备的中间体，以及含有其作为活性成分的杀菌剂（杀菌剂），其中R1代表可选取代的芳基，可选取代的杂环，单取代或双取代的亚甲基氨基，可选取代的（取代亚胺）甲基，可选取代的烷基，可选取代的烯基，可选取代的炔基，取代的羰基或取代的磺酰基; R2代表烷基，烯基，炔基或环烷基; R3代表可选取代的杂环; R4代表氢，烷基，烷氧基，卤素，硝基，氰基或卤代烷基; M代表氧，S（O）i（i为0，1或2），NR16（R16为氢，烷基或酰基）或单键; n表示0或1，当R3代表咪唑-1-基或1H-1,2,4-三唑-1-基时，n表示1; 符号˜表示E型，Z型或其混合物。
• CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Wityak John

  公开号：US20120329812A1

  公开（公告）日：2012-12-27

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化学实体。还提供了包含至少一种化学实体和一个或多个药用载体的制药组合物。本文描述了治疗对抑制KMO活性有反应的某些疾病和疾病的患者的方法，包括向这些患者施用至少一种化学实体的有效量以减轻疾病或疾病的症状或迹象。这些疾病包括神经退行性疾病，如亨廷顿病。还描述了治疗方法，包括将至少一种化学实体作为单一活性剂或与一个或多个其他治疗剂联合使用。还提供了筛选抑制KMO活性的化合物的方法。
• TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299146A1

  公开（公告）日：2015-10-22

  The compound represented by formula (1): wherein R 4 and R 5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R 6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R 7 , R 8 , and R 9 each represents a hydrogen atom, a halogen atom, or the like; R 10 represents a C1-C3 alkyl group, or the like; R 13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

  式(1)所代表的化合物：其中，R4和R5分别表示氢原子、卤素原子或C1-C3烷基；R6表示C1-C4烷基、C3-C6环烷基或类似物；R7、R8和R9分别表示氢原子、卤素原子或类似物；R10表示C1-C3烷基或类似物；R13表示C1-C3烷基或类似物；Q表示苯基或类似物。该化合物对害虫有极好的控制效果。
• Stereospecific Palladium-Catalyzed Direct Glycosylation of Oximes: Access to N–O-Linked Glycosides
  作者：Yujuan Wang、Yiyang Cheng、Lei Zhong、Shuhui Lei、Yun He、Yuanwei Dai

  DOI：10.1021/acs.orglett.3c01484

  日期：2023.6.9

  palladium-catalyzed glycosylation between 3,4-O-carbonate glycals and acid-labile oximes is disclosed. This approach features broad substrate scope, high functional group tolerance, and easy scalability, delivering glycosyl oximes in excellent yields with exclusive β-selectivity and retention of Z/E geometries. The power of this method is demonstrated by a set of site-selective transformations of glycosylation products

  公开了3,4- O-碳酸酯糖醛和酸不稳定肟之间的高效钯催化糖基化。这种方法具有广泛的底物范围、高官能团耐受性和易于扩展性，以优异的产量提供糖基肟，具有独特的 β-选择性和Z / E几何形状的保留。通过一组糖基化产物的位点选择性转化和生物活性分子的后期糖多样化证明了这种方法的威力。总的来说，我们的策略提供了一个有效的工具包，可以轻松获取有价值的 N-O-连接糖苷。