1-(benzyloxy)-4-(2-nitroethyl)benzene | 99696-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(benzyloxy)-4-(2-nitroethyl)benzene
• 英文别名: 1-Benzyloxy-4-(2-nitro-ethyl)-benzene；1-(2-nitroethyl)-4-phenylmethoxybenzene
• CAS: 99696-06-7
• 化学式: C₁₅H₁₅NO₃
• 分子量: 257.289
• InChiKey: UIFYMZJPIMTAPP-UHFFFAOYSA-N

物化性质

• 沸点：
  419.9±33.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(benzyloxy)-4-(2-nitroethyl)benzene 在 乙醇 、 氢气 作用下， 以85%的产率得到对羟基苯乙胺
  参考文献：
  名称：

  通过不对称的1,4-加成和铂/碳/磷酸钙复合材料的化学选择性加氢，对映选择性地合成巴氯芬前体。

  摘要：

  使用非手性和手性非均相催化剂以高收率和高对映选择性实现了巴氯芬前体（2）的连续流合成。关键步骤是手性钙催化的丙二酸酯向硝基烯烃的不对称1,4加成反应，以及通过使用分子氢将硝基化合物化学选择性还原成相应的氨基化合物。已经开发了一种以活性炭（AC）和磷酸钙（CP）为载体的二甲基聚硅烷（DMPS）改性的铂催化剂，该催化剂对硝基化合物的选择性加氢具有显着的活性。

  DOI：

  10.1002/asia.202000065
• 作为产物：
  描述：

  (E)-1-(benzyloxy)-4-(2-nitrovinyl)benzene 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 反应 0.67h， 以70%的产率得到1-(benzyloxy)-4-(2-nitroethyl)benzene
  参考文献：
  名称：

  [EN] HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS
  [FR] AGENTS ANTIFONGIQUES DÉRIVÉS DE PYRIDINE SUBSTITUÉS PAR UN HÉTÉROCYCLE

  摘要：

  本文描述了杂环取代吡啶衍生物抗真菌药剂和包含该化合物的药物组合物。这些化合物和组合物对于治疗真菌病和感染是有用的。

  公开号：

  WO2020247804A1

文献信息

• PYRIDINE DERIVATIVE CONTAINING ((PHOSPHONOOXY)METHYL)PYRIDINIUM RING, AND ANTIFUNGAL AGENT CONTAINING THESE DERIVATIVE
  申请人：MATSUKURA Masayuki

  公开号：US20100331282A1

  公开（公告）日：2010-12-30

  The present invention provides an antifungal agent that has excellent antifungal action, and is also superior in terms of its properties, and particularly its solubility in water and safety in an aqueous solution, and its in vivo pharmacokinetics and safety. According to the present invention, there is provided 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; R 3 represents a hydrogen atom, a halogen atom, or a C 1-6 alkyl group; and R 4 represents a hydrogen atom, a halogen atom, or a C 1-6 alkyl group.

  本发明提供了一种具有优异抗真菌作用的抗真菌剂，其在性质方面也表现出优越性，特别是在水溶性和水溶液中的安全性以及体内药代动力学和安全性方面。根据本发明，提供了以下式（I）所表示的化合物或其盐： 其中R1代表氢原子、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代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基； R3代表氢原子、卤素原子或C1-6烷基；以及 R4代表氢原子、卤素原子或C1-6烷基。
• 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。
• 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.

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、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)所代表的化合物或其盐： 其中R1代表氢原子、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代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。
• 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。
• Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same
  申请人：Tanaka Keigo

  公开号：US08507530B2

  公开（公告）日：2013-08-13

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R1 represents hydrogen, halogen, amino, R11—NH— wherein R11 represents C1-6 alkyl, hydroxy C1-6 alkyl, C1-6 alkoxy C1-6 alkyl, or C1-6alkoxycarbonyl C1-6 alkyl, R12—(CO)—NH— wherein R12 represents C1-6 alkyl group or C1-6 alkoxy C1-6 alkyl, C1-6 alkyl, hydroxy C1-6 alkyl, cyano C1-6 alkyl, C1-6 alkoxy, or C1-6 alkoxy C1-6 alkyl or a phosphonoamino group; R2 represents hydrogen, C1-6 alkyl, amino, or a di C1-6 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 C1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH2O—, —OCH2—, —NH—, —CH2NH—, —NHCH2—, —CH2S—, or —SCH2—; R3 represents hydrogen or halogen or C1-6 alkyl, C3-8 cycloalkyl, C6-10 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 R4 represents hydrogen or halogen; provided that either R1 or R2 represents a phosphonoamino group.

  具有优异的抗真菌作用、安全性和水溶性的抗真菌剂。化合物的化学式（I）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烷氧羰基C1-6烷基或磷酸氨基基；R2代表氢、C1-6烷基、氨基或二C1-6烷基氨基基或磷酸氨基基；X和Y中的一个是氮，另一个是氮或氧；环A代表一个5-或6-成员的杂环芳基环或苯环，其中可能有一个卤素原子或1或2个C1-6烷基基团；Z代表单键、亚甲基基团、乙烯基团、氧原子、硫原子、—CH2O—、—OCH2—、—NH—、—CH2NH—、—NHCH2—、—CH2S—或—SCH2—；R3代表氢、卤素或C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员的杂环芳基或一个5-或6-成员的非芳杂环基团，其中可能有1或2个取代基；R4代表氢或卤素；但R1或R2之一代表磷酸氨基基团。