2-bromo-4-nitrophenethyl methanesulfonate | 1037301-21-5

• 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: 2-bromo-4-nitrophenethyl methanesulfonate
• 英文别名: 2-(2-Bromo-4-nitrophenyl)ethyl methanesulfonate
• CAS: 1037301-21-5
• 化学式: C₉H₁₀BrNO₅S
• 分子量: 324.152
• InChiKey: VTCWUYHMYTWXRT-UHFFFAOYSA-N

物化性质

• 沸点：
  494.1±35.0 °C(Predicted)
• 密度：
  1.669±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-4-nitrophenethyl methanesulfonate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 三乙胺 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 1,4-二氧六环 、 甲醇 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  Novel 2,4-Diarylaminopyrimidine Analogues (DAAPalogues) Showing Potent c-Met/ALK Multikinase Inhibitory Activities

  摘要：

  By repurposing a typical dopamine D-1/D-5 receptor agonist motif, C1-substituted-N3-benzazepine or benzazecine, into the classical RTK inhibitor 2,4-diaminopyrimidine skeleton, a series of new 2,4-diarylaminopyrimidine analogues (DAAPalogues) were developed. Compounds 7 and 8a were identified possessing high potency against both c-Met and ALK kinases. Compound 8a displayed appreciable antitumor efficacy at the dose of 1 mg/kg in the ALK-driven BF3/EML4-ALK xenograft mice model.

  DOI：

  10.1021/ml400373j
• 作为产物：
  描述：

  <(p-Nitrophenyl)ethyl>-β-sulfonic ester 在 甲烷磺酸 、 1,3-二溴-5,5-二甲基海因 作用下， 以 二氯甲烷 为溶剂， 反应 6.08h， 生成 2-bromo-4-nitrophenethyl methanesulfonate
  参考文献：
  名称：

  WO2008/80891

  摘要：

  公开号：

文献信息

• PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS
  申请人：HAN Zhengxu

  公开号：US20130005962A1

  公开（公告）日：2013-01-03

  The present invention relates to a process for the manufacturing of substituted 3-amino-tetrahydrofuran-3-carboxylic acid amides of general formula (I) and their precursors in high optical purity to the precursors of the synthesis of substituted S-Amino-tetrahydrofuran-5-carboxylic acid amides of general formula (I) in high optical purity, and to the tautomers, enantiomers, diastereomers, mixtures and salts of substituted 3-amino-tetrahydrofuran-3-carboxylic acid amides of general formula (I) in high optical purity, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

  本发明涉及一种制备通式（I）的取代3-氨基四氢呋喃-3-羧酸酰胺及其前体的过程，以高光学纯度合成取代S-氨基四氢呋喃-5-羧酸酰胺的前体，以及取代3-氨基四氢呋喃-3-羧酸酰胺的互变异构体、对映异构体、非对映异构体、混合物和高光学纯度的盐，特别是与无机或有机酸或碱形成的生理上可接受的盐，具有有价值的性质。
• WO2008/80891
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel 2,4-Diarylaminopyrimidine Analogues (DAAPalogues) Showing Potent c-Met/ALK Multikinase Inhibitory Activities
  作者：Zhiqing Liu、Jing Ai、Xia Peng、Zilan Song、Kui Wu、Jing Zhang、Qizheng Yao、Yi Chen、Yinchun Ji、Yanhong Yang、Meiyu Geng、Ao Zhang

  DOI：10.1021/ml400373j

  日期：2014.4.10

  By repurposing a typical dopamine D-1/D-5 receptor agonist motif, C1-substituted-N3-benzazepine or benzazecine, into the classical RTK inhibitor 2,4-diaminopyrimidine skeleton, a series of new 2,4-diarylaminopyrimidine analogues (DAAPalogues) were developed. Compounds 7 and 8a were identified possessing high potency against both c-Met and ALK kinases. Compound 8a displayed appreciable antitumor efficacy at the dose of 1 mg/kg in the ALK-driven BF3/EML4-ALK xenograft mice model.