methyl 2',4'-dimethoxy-4-nitro-[1,1'-biphenyl]-2-carboxylate | 1026777-98-9

• 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: methyl 2',4'-dimethoxy-4-nitro-[1,1'-biphenyl]-2-carboxylate
• 英文别名: methyl 2-(2,4-dimethoxyphenyl)-5-nitrobenzoate
• CAS: 1026777-98-9
• 化学式: C₁₆H₁₅NO₆
• 分子量: 317.298
• InChiKey: SSUWZYLEMAEAPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  methyl 2',4'-dimethoxy-4-nitro-[1,1'-biphenyl]-2-carboxylate 在 palladium 10% on activated carbon 氢气 、 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~20.0 ℃ 、294.21 kPa 条件下， 反应 1.0h， 生成 8-amino-3-hydroxy-6H-benzo[c]chromen-6-one
  参考文献：
  名称：

  GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP

  摘要：

  公开号：

  EP2319835B1
• 作为产物：
  描述：

  3-methoxy-8-nitro-6H-benzo[c]chromen-6-one 在 四丁基溴化铵 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 24.01h， 生成 methyl 2',4'-dimethoxy-4-nitro-[1,1'-biphenyl]-2-carboxylate
  参考文献：
  名称：

  Donor–acceptor biaryl lactones: pH induced molecular switches with intramolecular charge transfer modulation

  摘要：

  The physical properties of biaryl-containing compounds are known to be highly dependent on molecular geometry. We report the syntheses and fundamental spectroscopic study of two donor-acceptor biaryl lactone (6H-benzo[c]chromen-6-one) pH-driven switches. These compounds have been determined to rapidly and efficiently switch between two geometric states upon cycling of acidic or basic stimuli. The planar lactone state exhibits enhanced intramolecular charge transfer (ICT) between the donor and acceptor units which is instantly attenuated upon addition of basic stimuli. The resulting lactone cleavage enables aryl-aryl bond rotation thus decreasing the extent of conjugation between the rings. Each state is readily identifiable by the significant changes that occur in their respective UV-vis spectra and luminescent character, indicative of the facile modulation of extended conjugation by pH. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.016

文献信息

• NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS
  申请人：Matsuda Mamoru

  公开号：US20090298826A1

  公开（公告）日：2009-12-03

  The compounds represented in general formula (1) and a salt thereof are useful for glucocorticoid receptor modulator. The R 1 represents a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom or a lower alkyl group; R 3 and R 4 may be the same or different and represent a hydrogen atom or a lower alkyl group; R 5 represents a hydrogen atom or a lower alkyl group; R 6 represents a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, a nitro group or a cyano group; X represents —C(O)—, —C(O)NR 8 —, —S(O) 2 — and the like; R 7 and/or R 8 may be the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, a heterocyclic group which may have a substituent, a lower alkoxy group which may have a substituent and the like; Y represents a lower alkylene group; Z represents a benzene ring or a heterocyclic ring; and P represents 0, 1, 2 or 3.

  通用公式（1）中代表的化合物及其盐对糖皮质激素受体调节剂非常有用。其中，R1代表氢原子或较低的烷基基团；R2代表氢原子或较低的烷基基团；R3和R4可以相同也可以不同，代表氢原子或较低的烷基基团；R5代表氢原子或较低的烷基基团；R6代表卤素原子、较低的烷基基团、羟基、较低的烷氧基、硝基或氰基；X代表—C(O)—、—C(O)NR8—、—S(O)2—等；R7和/或R8可以相同也可以不同，代表氢原子、可能具有取代基团的较低烷基基团、可能具有取代基团的芳基、可能具有取代基团的杂环基团、可能具有取代基团的较低烷氧基团等；Y代表较低的烷基烯基团；Z代表苯环或杂环环；P代表0、1、2或3。
• NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLAMINO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS
  申请人：Matsuda Mamoru

  公开号：US20090298827A1

  公开（公告）日：2009-12-03

  The compounds represented in general formula (1) and a salt thereof are useful for glucocorticoid receptor modulator. The R 1 represents a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom or a lower alkyl group; R 3 and R 4 may be the same or different and represents a hydrogen atom or a lower alkyl group; R 5 represents a hydrogen atom or a lower alkyl group; R 6 represents a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, a nitro group or a cyano group; X represents —C(O)—, —C(O)NR 8 —, —S(O) 2 — and the like; R 7 and/or R 8 may be the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, a heterocyclic group which may have a substituent, a lower alkoxy group which may have a substituent and the like; Y represents a lower alkylene group; and P represents 0, 1, 2 or 3.

  通式（1）及其盐对于糖皮质激素受体调节剂很有用。其中，R1代表氢原子或较低烷基；R2代表氢原子或较低烷基；R3和R4可以相同也可以不同，代表氢原子或较低烷基；R5代表氢原子或较低烷基；R6代表卤原子、较低烷基、羟基、较低烷氧基、硝基或氰基；X代表—C（O）—，—C（O）NR8—，—S（O）2—等；R7和/或R8可以相同也可以不同，代表氢原子、较低烷基（可能具有取代基）、芳基（可能具有取代基）、杂环基（可能具有取代基）、较低烷氧基（可能具有取代基）等；Y代表较低烷基烯基；P代表0、1、2或3。
• Method for preventing or treating a disease related to the glucocorticoid receptor
  申请人：Matsuda Mamoru

  公开号：US20110275620A1

  公开（公告）日：2011-11-10

  A method for preventing or treating a disease related to the glucocorticoid receptor involving administering a pharmacologically effective amount of a 1,2-hydroquinoline compound.

  一种预防或治疗与糖皮质激素受体相关的疾病的方法，涉及给予1,2-羟基喹啉化合物的药理有效剂量。
• 1,2-dihydroquinoline derivative having substituted phenylamino lower alkyl group and ester-introduced phenyl group as substituents
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08008498B2

  公开（公告）日：2011-08-30

  The compounds represented in general formula (1) and a salt thereof are useful for glucocorticoid receptor modulator. The R1 represents a hydrogen atom or a lower alkyl group; R2 represents a hydrogen atom or a lower alkyl group; R3 and R4 may be the same or different and represents a hydrogen atom or a lower alkyl group; R5 represents a hydrogen atom or a lower alkyl group; R6 represents a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, a nitro group or a cyano group; X represents —C(O)—, —C(O)NR8—, —S(O)2— and the like; R7 and/or R8 may be the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, a heterocyclic group which may have a substituent, a lower alkoxy group which may have a substituent and the like; Y represents a lower alkylene group; and P represents 0, 1, 2 or 3.

  通式（1）所代表的化合物及其盐对于糖皮质激素受体调节剂很有用。其中，R1代表氢原子或较低的烷基；R2代表氢原子或较低的烷基；R3和R4可以相同也可以不同，代表氢原子或较低的烷基；R5代表氢原子或较低的烷基；R6代表卤原子、较低的烷基、羟基、较低的烷氧基、硝基或氰基；X代表—C（O）—、—C（O）NR8—、—S（O）2—等；R7和/或R8可以相同也可以不同，代表氢原子、较低的烷基（可能有取代基）、芳基（可能有取代基）、杂环基（可能有取代基）、较低的烷氧基（可能有取代基）等；Y代表较低的烷基；P代表0、1、2或3。
• 1,2-dihydroquinoline derivative having (substituted phenyl or substituted heterocyclic) carbonyloxy lower alkyl group and ester-introduced phenyl group as substituents
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08008497B2

  公开（公告）日：2011-08-30

  The compounds represented in general formula (1) and a salt thereof are useful for glucocorticoid receptor modulator. The R1 represents a hydrogen atom or a lower alkyl group; R2 represents a hydrogen atom or a lower alkyl group; R3 and R4 may be the same or different and represent a hydrogen atom or a lower alkyl group; R5 represents a hydrogen atom or a lower alkyl group; R6 represents a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, a nitro group or a cyano group; X represents —C(O)—, —C(O)NR8—, —S(O)2— and the like; R7 and/or R8 may be the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, a heterocyclic group which may have a substituent, a lower alkoxy group which may have a substituent and the like; Y represents a lower alkylene group; Z represents a benzene ring or a heterocyclic ring; and P represents 0, 1, 2 or 3.

  通式（1）所代表的化合物及其盐对于糖皮质激素受体调节剂非常有用。其中，R1代表氢原子或较低的烷基；R2代表氢原子或较低的烷基；R3和R4可以相同也可以不同，代表氢原子或较低的烷基；R5代表氢原子或较低的烷基；R6代表卤原子、较低的烷基、羟基、较低的烷氧基、硝基或氰基；X代表-C（O）-、-C（O）NR8-、-S（O）2-等；R7和/或R8可以相同也可以不同，代表氢原子、较低的烷基（可能有取代基）、芳基（可能有取代基）、杂环基（可能有取代基）、较低的烷氧基（可能有取代基）等；Y代表较低的烷基；Z代表苯环或杂环环；P代表0、1、2或3。