tert-butyl N-[(2,5-dibromophenyl)methyl]carbamate | 1613451-75-4

• 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: tert-butyl N-[(2,5-dibromophenyl)methyl]carbamate
• CAS: 1613451-75-4
• 化学式: C₁₂H₁₅Br₂NO₂
• 分子量: 365.065
• InChiKey: ROJMPSWMOAGMGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-羟基-4-甲氧基羰基苯硼酸频那醇酯 、 tert-butyl N-[(2,5-dibromophenyl)methyl]carbamate 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 cesium fluoride 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以76%的产率得到Methyl 2-hydroxy-4-[4-(3-hydroxy-4-methoxycarbonylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoate
  参考文献：
  名称：

  Metal–Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water

  摘要：

  The selective capture of carbon dioxide in the presence of water is an outstanding challenge. Here, we show that the interior of IRMOF-74-III can be covalently functionalized with primary amine (IRMOF-74-III-CH2NH2) and used for the selective capture of CO2 in 6596 relative humidity. This study encompasses the synthesis, structural characterization, gas adsorption, and CO2 capture properties of variously functionalized IRMOF-74-III compounds (IRMOF-74-III-CH3, -NH2, -CH(2)NHBoc, -CH(2)NMeBoc, -CH2NH2, and -CH2NHMe). Cross-polarization magic angle spinning C-13 NMR spectra showed that CO2 binds chemically to IRMOF-74-III-CH2NH2 and -CH2NHMe to make carbamic species. Carbon dioxide isotherms and breakthrough experiments show that IRMOF-74-III-CH2NH2 is especially efficient at taking up CO2 (3.2 mmol of CO2 per gram at 800 Torr) and, more significantly, removing CO2 from wet nitrogen gas streams with breakthrough time of 610 +/- 10 s g(-1) and full preservation of the IRMOF structure.

  DOI：

  10.1021/ja503296c
• 作为产物：
  描述：

  2,5-二溴苯甲酸甲酯 在 硼烷四氢呋喃络合物 、 氨 、 C.I.酸性橙108 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 47.5h， 生成 tert-butyl N-[(2,5-dibromophenyl)methyl]carbamate
  参考文献：
  名称：

  [EN] METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS.
  [FR] RÉSEAUX MÉTAL-ORGANIQUES COMPRENANT UNE PLURALITÉ DE SBU AVEC DIFFÉRENTS IONS MÉTALLIQUES ET/OU UNE PLURALITÉ DE LIGANDS DE LIAISON ORGANIQUE AVEC DIFFÉRENTS GROUPES FONCTIONNELS

  摘要：

  公开号：

  WO2015195179A3

文献信息

• [EN] METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS.<br/>[FR] RÉSEAUX MÉTAL-ORGANIQUES COMPRENANT UNE PLURALITÉ DE SBU AVEC DIFFÉRENTS IONS MÉTALLIQUES ET/OU UNE PLURALITÉ DE LIGANDS DE LIAISON ORGANIQUE AVEC DIFFÉRENTS GROUPES FONCTIONNELS
  申请人：UNIV CALIFORNIA

  公开号：WO2015195179A3

  公开（公告）日：2016-05-26
• METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS
  申请人：The Regents of the University of California

  公开号：US20170101429A1

  公开（公告）日：2017-04-13

  The disclosure provides for metal organic frameworks (MOFs) which comprise a plurality of SBUs comprising different metals or metal ions and/or a plurality of organic linking moieties comprising different functional groups.
• Metal–Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water
  作者：Alejandro M. Fracaroli、Hiroyasu Furukawa、Mitsuharu Suzuki、Matthew Dodd、Satoshi Okajima、Felipe Gándara、Jeffrey A. Reimer、Omar M. Yaghi

  DOI：10.1021/ja503296c

  日期：2014.6.25

  The selective capture of carbon dioxide in the presence of water is an outstanding challenge. Here, we show that the interior of IRMOF-74-III can be covalently functionalized with primary amine (IRMOF-74-III-CH2NH2) and used for the selective capture of CO2 in 6596 relative humidity. This study encompasses the synthesis, structural characterization, gas adsorption, and CO2 capture properties of variously functionalized IRMOF-74-III compounds (IRMOF-74-III-CH3, -NH2, -CH(2)NHBoc, -CH(2)NMeBoc, -CH2NH2, and -CH2NHMe). Cross-polarization magic angle spinning C-13 NMR spectra showed that CO2 binds chemically to IRMOF-74-III-CH2NH2 and -CH2NHMe to make carbamic species. Carbon dioxide isotherms and breakthrough experiments show that IRMOF-74-III-CH2NH2 is especially efficient at taking up CO2 (3.2 mmol of CO2 per gram at 800 Torr) and, more significantly, removing CO2 from wet nitrogen gas streams with breakthrough time of 610 +/- 10 s g(-1) and full preservation of the IRMOF structure.