1-[(4-甲氧基苯基)甲氧基甲基]-4-硝基苯 | 7500-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[(4-甲氧基苯基)甲氧基甲基]-4-硝基苯
• 英文名称: 1-methoxy-4-(((nitrobenzyl)oxy)methyl)benzene
• 英文别名: 1-methoxy-4-(4-nitro-benzyloxymethyl)-benzene；1-Methoxy-4-(4-nitro-benzyloxymethyl)-benzol；1-[(4-Methoxyphenyl)methoxymethyl]-4-nitrobenzene
• CAS: 7500-83-6
• 化学式: C₁₅H₁₅NO₄
• 分子量: 273.288
• InChiKey: MADCZADWKGRBFL-UHFFFAOYSA-N

物化性质

• 沸点：
  179-185 °C(Press: 0.2 Torr)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 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：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(4-甲氧基苯基)甲氧基甲基]-4-硝基苯 在 甲酸铵 、 三乙胺 、 锌 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 7.5h， 生成 N-(4-(((4-methoxybenzyl)oxy)methyl)phenyl)-4-methyl-3-oxopentanamide
  参考文献：
  名称：

  (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시메틸페닐아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체, 및 중간체의 제조방법

  摘要：

  This invention provides a method for preparing (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt, an intermediate used therein, and a method for preparing the same. The preparation method of the present invention is carried out by synthesizing each major structural moiety of (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt separately and then coupling them in a convergent synthesis approach. Accordingly, the flexibility of the material can be easily controlled, the manufacturing time can be shortened, thus improving the productivity of the compound, and the yield of the final compound can also be increased.

  公开号：

  KR102001835B1
• 作为产物：
  描述：

  对硝基苯甲醇 、 4-甲氧基氯苄 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以40%的产率得到1-[(4-甲氧基苯基)甲氧基甲基]-4-硝基苯
  参考文献：
  名称：

  (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시메틸페닐아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체, 및 중간체의 제조방법

  摘要：

  This invention provides a method for preparing (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt, an intermediate used therein, and a method for preparing the same. The preparation method of the present invention is carried out by synthesizing each major structural moiety of (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt separately and then coupling them in a convergent synthesis approach. Accordingly, the flexibility of the material can be easily controlled, the manufacturing time can be shortened, thus improving the productivity of the compound, and the yield of the final compound can also be increased.

  公开号：

  KR102001835B1

文献信息

• 10.1002/chem.202401815
  作者：Zhang, Qian、Zhang, Jiabin、Qian, Hui、Ma, Shengming

  DOI：10.1002/chem.202401815

  日期：——

  With Fe(NO3)3 ⋅ 9H2O and TEMPO as cocatalysts and oxygen as green oxidant, PMB ethers have been converted to carboxylic acids at room temperature with high efficiency and selectivity. Total synthesis of naturally occuring (R)-6-hydroxy-7,9-octadecadiynoic acid has been realized by applying this protocol as key step. A mechanism involving oxygen-stabilized benzylic cation has been proposed based on

  以 Fe（NO3）3 ⋅ 9H2O 和 TEMPO 为助催化剂，以氧为绿色氧化剂，PMB 醚在室温下以高效率和选择性转化为羧酸。通过将该方案作为关键步骤，已经实现了天然存在的 （R）-6-羟基-7,9-十八烷二炔酸的完全合成。基于仔细研究，已经提出了一种涉及氧稳定苄基阳离子的机制。
• Reaction Rates by Distillation. VI. The Etherification of Benzyl and Related Alcohols
  作者：Ernest F. Pratt、Porter W. Erickson

  DOI：10.1021/ja01582a023

  日期：1956.1
• [EN] PREPARATION METHOD FOR (3R,5R)-7-[2-(4-FLUROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXYMETHYLPHENYLAMINO)CARBONYL]-PYRRROL-1-YL]-3,5-DIHYDROXY HEPTANOIC ACID HEMICALCIUM SALT, INTERMEDIATE USED THEREFOR, AND PREPARATION METHOD FOR INTERMEDIATE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE SEL HEMICALCIQUE DE L'ACIDE (3R,5R)-7-[2-(4-FLUROPHÉNYL)-5-ISOPROPYL-3-PHÉNYL-4-[(4-HYDROXYMÉTHYLPHÉNYLAMINO)CARBONYL]-PYRRROL-1-YL]-3,5-DIHYDROXYHEPTANOÏQUE, INTERMÉDIAIRE UTILISÉ À CET EFFET, ET PROCÉDÉ DE PRÉPARATION DE L'INTERMÉDIAIRE<br/>[KO] (3R,5R)-7-[2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-[(4-히드록시메틸페닐아미노)카보닐]-피롤-1-일]-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체, 및 중간체의 제조방법
  申请人：DAEWON PHARMACEUTICAL CO LTD

  公开号：WO2020040614A1

  公开（公告）日：2020-02-27

  본 발명은 (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시 메틸 페닐 아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체 및 이의 제조방법을 제공한다. 본 발명의 제조방법은, (3R,5R)-7-[2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-[(4-히드록시메틸페닐아미노)카보닐]-피롤-1-일]-3,5-디히드록시 헵탄산 헤미칼슘염의 주요 구조부들 각각을 개별적으로 합성한 후 커플링 하는 수렴합성 방식으로 수행된다. 이에 따라, 유연물질을 용이하게 제어하고 제조시간을 단축시킬 수 있어 화합물의 생산성을 향상시킬 수 있고, 최종 화합물의 수율 또한 높일 수 있다.
• (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시메틸페닐아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체, 및 중간체의 제조방법
  申请人：DAE WON PHARMACEUTICAL CO., LTD 대원제약주식회사(119980007184) Corp. No ▼ 110111-0103955BRN ▼207-81-36336

  公开号：KR102001835B1

  公开（公告）日：2019-07-19

  본 발명은 (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시 메틸 페닐 아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 제조방법, 이에 사용되는 중간체 및 이의 제조방법을 제공한다. 본 발명의 제조방법은, (3R,5R)-7-(2-(4-플루오로페닐)-5-이소프로필-3-페닐-4-((4-히드록시메틸페닐아미노)카보닐)-피롤-1-일)-3,5-디히드록시 헵탄산 헤미칼슘염의 주요 구조부들 각각을 개별적으로 합성한 후 커플링 하는 수렴합성 방식으로 수행된다. 이에 따라, 유연물질을 용이하게 제어하고 제조시간을 단축시킬 수 있어 화합물의 생산성을 향상시킬 수 있고, 최종 화합물의 수율 또한 높일 수 있다.

  This invention provides a method for preparing (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt, an intermediate used therein, and a method for preparing the same. The preparation method of the present invention is carried out by synthesizing each major structural moiety of (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-((4-hydroxymethylphenylamino)carbonyl)-pyrrol-1-yl)-3,5-dihydroxy heptanoic acid hemicalcium salt separately and then coupling them in a convergent synthesis approach. Accordingly, the flexibility of the material can be easily controlled, the manufacturing time can be shortened, thus improving the productivity of the compound, and the yield of the final compound can also be increased.