diethyl (methoxy(4-nitrophenyl)methyl)phosphonate | 92594-60-0

• 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: diethyl (methoxy(4-nitrophenyl)methyl)phosphonate
• 英文别名: diethyl α-methoxy-4-nitrobenzylphosphonate；Diethyl alpha-methoxy-4-nitrobenzylphosphonate；1-[diethoxyphosphoryl(methoxy)methyl]-4-nitrobenzene
• CAS: 92594-60-0
• 化学式: C₁₂H₁₈NO₆P
• 分子量: 303.252
• InChiKey: JIXXCBBHVRMTKW-UHFFFAOYSA-N

物化性质

• 沸点：
  412.7±45.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl (methoxy(4-nitrophenyl)methyl)phosphonate 在 palladium-carbon 氢气 、 palladium-carbon 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to give diethyl 4-amino-α-methoxybenzylphosphonate as crystals的产率得到diethyl 4-amino-α-methoxybenzylphosphonate
  参考文献：
  名称：

  Azole compounds

  摘要：

  本发明提供了一种化合物，其表示为式（I），其中R1为氢原子，卤素原子，可选取代的碳氢基团，可选取代的杂环基团，可选取代的羟基，可选取代的硫醇基或可选取代的氨基；A为可选取代的环状氨基基团或-NR2-W-D，其中R2为氢原子或烷基团，W为键或二价非环烷基团，D为可选取代的环状基团，可选取代的氨基或可选取代的酰基；B为可选取代的碳氢基团或可选取代的杂环基团；X为氧原子，硫原子或可选取代的氮原子；Y为键或二价非环烷基团。该化合物或其盐对于预防或治疗糖尿病性神经病变等疾病有用。

  公开号：

  US07183276B2
• 作为产物：
  描述：

  4-硝基碘苯 在 bis-triphenylphosphine-palladium(II) chloride 、 dirhodium tetraacetate 、 甲酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 2.5h， 生成 diethyl (methoxy(4-nitrophenyl)methyl)phosphonate
  参考文献：
  名称：

  Synthesis of α-aryl-diazophosphonates via palladium-catalyzed cross-coupling of aryl iodides with diethyl diazomethylphosphonate

  摘要：

  An efficient procedure for the Pd-catalyzed arylation of diethyl alpha-diazomethylphosphonate with aryl iodides is described. It can serve as a pathway for the generation of arylated diazophosphonates, which are typically difficult to access. The significance of this methodology was demonstrated via further synthetic transformations of newly synthesized diazo compounds in cyclopropanation, epoxidation, N-H and O-H insertion reactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.10.048

文献信息

• [EN] URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C<br/>[FR] DÉRIVÉ D'URACILE OU DE THYMINE POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：ABBOTT LAB

  公开号：WO2009039127A1

  公开（公告）日：2009-03-26

  Present application relates to the compounds of formula I useful to treat hepatitis C (HCV) infections. In the structure of the disclosed compounds is the uracil or thymine derivative linked via a phenylene into either fused 2-ring cyclic system (R6) or alternatively via additional two-atom linker (L) to a 5-6 membered monocycle (R6). Application further discloses polymorphs and pseudopolymorphs of two specific compounds: N-(6(3-t-butyl-5-(2>4-dioxo-3,4-dihydropyrimidin-1 (2H)- y!)2-methoxy-phenyl)naphthalen-2-yl)methanesulfonamide and (E)-N-(4(3-t- butyl-5-(2,4-dioxo-3)4-dihydropyrimidin-1 (2H)-yl)2-methoxy-styryl- phenyl)methanesulfonamide.

  本申请涉及一种用于治疗丙型肝炎（HCV）感染的化合物，其化学式为I。所述化合物的结构中，尿嘧啶或胸腺嘧啶衍生物通过苯基与融合的2环环系统（R6）或者通过额外的两原子连接物（L）与5-6环单环（R6）相连。该申请还揭示了两种特定化合物的多晶形和伪多晶形：N-(6(3-叔丁基-5-(2>4-二氧化-3,4-二氢嘧啶-1(2H)-基)2-甲氧基苯基)萘-2-基)甲磺酰胺和(E)-N-(4(3-叔丁基-5-(2,4-二氧化-3,4-二氢嘧啶-1(2H)-基)2-甲氧基-苯乙烯基苯基)甲磺酰胺。
• [EN] N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS<br/>[FR] N-PHÉNYL-DIOXO-HYDROPYRIMIDINES UTILES EN TANT QU'INHIBITEURS DU VIRUS DE L'HÉPATITE C (VHC)
  申请人：ABBOTT LAB

  公开号：WO2009039135A1

  公开（公告）日：2009-03-26

  This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions. The compounds are usefull in the treatment of hepatitis C and are of the following general structure: Formula (I)

  这项发明涉及：(a) 抑制HCV等的化合物及其盐; (b) 用于制备这种化合物和盐的中间体; (c) 包含这种化合物和盐的组合物; (d) 制备这种中间体、化合物、盐和组合物的方法; (e) 使用这种化合物、盐和组合物的方法; 以及(f) 包含这种化合物、盐和组合物的试剂盒。这些化合物在丙型肝炎的治疗中很有用，具有以下一般结构：式(I)
• AZOLE COMPOUNDS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1486490A1

  公开（公告）日：2004-12-15

  The present invention provides a compound represented by the formula (I) wherein R1 is a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, an optionally substituted hydroxy group, an optionally substituted thiol group or an optionally substituted amino group, A is an optionally substituted cyclic amino group or -NR2-W-D wherein R2 is a hydrogen atom or an alkyl group, W is a bond or a divalent acyclic hydrocarbon group, and D is an optionally substituted cyclic group, an optionally substituted amino group or an optionally substituted acyl group, B is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, X is an oxygen atom, a sulfur atom or an optionally substituted nitrogen atom, and Y is a bond or a divalent acyclic hydrocarbon group, or a salt thereof, which is useful for the prophylaxis or treatment of diabetic neuropathy and the like.

  本发明提供了一种由以下式（I）表示的化合物， 其中R1是氢原子、卤原子、可选择取代的碳氢基团、可选择取代的杂环基团、可选择取代的羟基、可选择取代的硫醇基团或可选择取代的氨基， A是可选择取代的环氨基团或-NR2-W-D，其中R2是氢原子或烷基，W是键或二价的非环烃基团，D是可选择取代的环基团、可选择取代的氨基团或可选择取代的酰基团， B是可选择取代的碳氢基团或可选择取代的杂环基团， X是氧原子、硫原子或可选择取代的氮原子，以及 Y是键或二价的非环烃基团，或其盐，用于预防或治疗糖尿病性神经病变等。
• Anti-Infective Agents and Uses Thereof
  申请人：Wagner Rolf

  公开号：US20110070193A1

  公开（公告）日：2011-03-24

  This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  本发明涉及：(a) 包括抑制HCV的化合物及其盐等；(b) 用于制备这些化合物和盐的中间体；(c) 包括这些化合物和盐的组合物；(d) 制备这些中间体、化合物、盐和组合物的方法；(e) 使用这些化合物、盐和组合物的方法；以及(f) 包含这些化合物、盐和组合物的试剂盒。
• ANTI-INFECTIVE AGENTS AND USES THEREOF
  申请人：Donner Pamela L.

  公开号：US20120189580A1

  公开（公告）日：2012-07-26

  This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  本发明涉及：(a)抑制HCV等的化合物及其盐；(b)用于制备此类化合物和盐的中间体；(c)包含此类化合物和盐的组合物；(d)制备此类中间体、化合物、盐和组合物的方法；(e)使用此类化合物、盐和组合物的方法；以及(f)包含此类化合物、盐和组合物的试剂盒。