(4-(pyridin-2-yloxymethyl)phenyl)acetohydroxymoyl chloride | 936342-28-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-(pyridin-2-yloxymethyl)phenyl)acetohydroxymoyl chloride
• 英文别名: 4-(pyridin-2-yloxymethyl)-phenyl-acetohydroximoyl chloride；4-(pyridin-2-yloxymethyl)-phenyl-acetohydroxymoyl chloride；4(Pyridin-2-yloxymethyl)-phenyl-acetohydroximoyl chloride；4-(Pyridin-2-yloxymethyl)phenyl-acetohydroximoyl chloride；N-hydroxy-2-[4-(pyridin-2-yloxymethyl)phenyl]ethanimidoyl chloride
• CAS: 936342-28-8
• 化学式: C₁₄H₁₃ClN₂O₂
• 分子量: 276.722
• InChiKey: FZFKOSQKPFVYOW-UHFFFAOYSA-N

物化性质

• 沸点：
  455.5±55.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-(pyridin-2-yloxymethyl)phenyl)acetohydroxymoyl chloride 在 水 、 氯甲酸乙酯 、 三乙胺 、 zinc(II) chloride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 生成 2-Isocyanato-3-[3-[[4-[(2-pyridinyloxy)methyl]phenyl]methyl]-5-isoxazolyl]pyridine
  参考文献：
  名称：

  WO2020005860A5

  摘要：

  公开号：

  WO2020005860A5
• 作为产物：
  描述：

  2-(4-(2-硝基-乙基)-苄氧基)-吡啶 在 lithium methanolate 、 四氯化钛 、 水 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.72h， 生成 (4-(pyridin-2-yloxymethyl)phenyl)acetohydroxymoyl chloride
  参考文献：
  名称：

  PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME

  摘要：

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。

  公开号：

  US20090082403A1

文献信息

• HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME
  申请人：MATSUKURA Masayuki

  公开号：US20090233883A1

  公开（公告）日：2009-09-17

  The present invention provides compounds that have excellent antifungal action, and are also excellent in terms of properties, such as solubility in water and safety. The compounds are represented by formula (I): The present invention is also directed to a pharmaceutical composition comprising the compound, an antifungal agent comprising the compound as an active ingredient, and a method for preventing or treating a fungal disease by administering the compound.

  本发明提供了具有优异抗真菌作用的化合物，同时在水溶性和安全性等方面也表现优异。这些化合物由式（I）表示： 本发明还涉及包括该化合物的药物组合物，以该化合物作为活性成分的抗真菌剂，以及通过给予该化合物来预防或治疗真菌病的方法。
• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• An Effective Synthesis of a (Pyridin-3-yl)isoxazole via 1,3-Dipolar Cycloaddition Using ZnCl₂: Synthesis of a (2-Aminopyridin-3-yl)isoxazole Derivative and Its Antifungal Activity
  作者：Keigo Tanaka、Satoshi Inoue、Norio Murai、Syuji Shirotori、Kazutaka Nakamoto、Shinya Abe、Takaaki Horii、Mamiko Miyazaki、Katsura Hata、Naoaki Watanabe、Makoto Asada、Masayuki Matsukura

  DOI：10.1246/cl.2010.1033

  日期：2010.10.5

  We described a rare example of an effective isoxazole synthesis via a 1,3-dipolar cycloaddition using ZnCl2, which allowed us to synthesize novel (2-aminopyridin-3-yl)isoxazole derivatives effectively. In addition, these compounds demonstrated potent antifungal activity in vitro against both Candida albicans and Aspergillus fumigatus.

  我们描述了通过使用 ZnCl2 进行 1,3-二极环加成有效合成异噁唑的罕见实例，这使我们能够有效合成新型（2-氨基吡啶-3-基）异噁唑衍生物。此外，这些化合物在体外对白色念珠菌和曲霉菌都表现出了很强的抗真菌活性。
• Heterocycles substituted pyridine derivatives and antifungal agent containing thereof
  申请人：Tanaka Keigo

  公开号：US20070105904A1

  公开（公告）日：2007-05-10

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a C 1-6 alkoxy C 1-6 alkyl group; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group or a di C 1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents a hydrogen atom or a halogen atom.

  本发明的目的是提供一种具有优异的抗真菌效果、在物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所表示的化合物或其盐：其中，R1表示氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2表示氢原子、C1-6烷基、氨基或二C1-6烷基氨基；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A表示一个5-或6-成员杂芳环或苯环，可以有一个卤素原子或1或2个C1-6烷基；Z表示单键、亚甲基、乙烯基、氧原子、硫原子、—CH2O—、—OCH2—、—NH—、—CH2NH—、—NHCH2—、—CH2S—或—SCH2—；R3表示氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、5-或6-成员杂芳基或5-或6-成员非芳杂环基，可以有1或2个取代基；R4表示氢原子或卤素原子。
• HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF
  申请人：TANAKA Keigo

  公开号：US20120029023A1

  公开（公告）日：2012-02-02

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 , R 2 , X, Y, ring A, Z, R 3 and R 4 are as defined in the specification.

  本发明的目的是提供一种具有优异的抗真菌效果且在物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了下式（I）所表示的化合物或其盐：其中R1、R2、X、Y、环A、Z、R3和R4如规范中所定义。