Tert-butyl 4-[1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazol-4-yl]benzoate | 1235442-61-1

• 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 4-[1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazol-4-yl]benzoate
• 英文别名: tert-butyl 4-[1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazol-4-yl]benzoate
• CAS: 1235442-61-1
• 化学式: C₃₀H₃₂N₂O₄
• 分子量: 484.595
• InChiKey: LMZYCDAXUBHSIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazol-4-yl]benzoate 、 碘甲烷 以 乙腈 为溶剂， 以94%的产率得到4,7-bis(4-(tert-butyloxycarbonyl)phenyl)-1,3-dimethylbenzimidazolium iodide
  参考文献：
  名称：

  A Metal−Organic Framework with Covalently Bound Organometallic Complexes

  摘要：

  A procedure for making covalently linked organometallic complexes within the pores of metal organic frameworks (MOFs) has been described. An N-heterocyclic carbene precursor containing link L0 was prepared and then constructed into a MOF-5-type structure (IRMOF-76). Attempts to produce covalently bound organometallic complexes in IRMOF-76 were unsuccessful. An alternative way of linking the first metalated link, L1, into the desired metalated MOF structure, IRMOF-77, was successful. IRMOF-76 and -77 were characterized by single-crystal X-ray studies. Demonstration of permanent porosity and successful substitution of the pyridine coligand in IRMOF-77 are also described.

  DOI：

  10.1021/ja103016y
• 作为产物：
  描述：

  4-(叔丁氧基羰基)苯基硼酸频哪醇酯 、 4,7-dibromo-1-methyl-1H-benzimidazole 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以62%的产率得到Tert-butyl 4-[1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazol-4-yl]benzoate
  参考文献：
  名称：

  A Metal−Organic Framework with Covalently Bound Organometallic Complexes

  摘要：

  A procedure for making covalently linked organometallic complexes within the pores of metal organic frameworks (MOFs) has been described. An N-heterocyclic carbene precursor containing link L0 was prepared and then constructed into a MOF-5-type structure (IRMOF-76). Attempts to produce covalently bound organometallic complexes in IRMOF-76 were unsuccessful. An alternative way of linking the first metalated link, L1, into the desired metalated MOF structure, IRMOF-77, was successful. IRMOF-76 and -77 were characterized by single-crystal X-ray studies. Demonstration of permanent porosity and successful substitution of the pyridine coligand in IRMOF-77 are also described.

  DOI：

  10.1021/ja103016y

文献信息

• ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME
  申请人：Yaghi Omar M.

  公开号：US20120259117A1

  公开（公告）日：2012-10-11

  The disclosure provides organic frameworks comprising increased stability.
• ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHODS OF MAKING SAME
  申请人：Yaghi Omar M.

  公开号：US20130131344A1

  公开（公告）日：2013-05-23

  The disclosure provides organic frameworks comprising increased stability.
• A Metal−Organic Framework with Covalently Bound Organometallic Complexes
  作者：Kounosuke Oisaki、Qiaowei Li、Hiroyasu Furukawa、Alexander U. Czaja、Omar M. Yaghi

  DOI：10.1021/ja103016y

  日期：2010.7.14

  A procedure for making covalently linked organometallic complexes within the pores of metal organic frameworks (MOFs) has been described. An N-heterocyclic carbene precursor containing link L0 was prepared and then constructed into a MOF-5-type structure (IRMOF-76). Attempts to produce covalently bound organometallic complexes in IRMOF-76 were unsuccessful. An alternative way of linking the first metalated link, L1, into the desired metalated MOF structure, IRMOF-77, was successful. IRMOF-76 and -77 were characterized by single-crystal X-ray studies. Demonstration of permanent porosity and successful substitution of the pyridine coligand in IRMOF-77 are also described.