5-(4-nitrophenyl)-1H-tetrazolylacetic acid | 81595-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-nitrophenyl)-1H-tetrazolylacetic acid
• 英文别名: 5-(4-nitrophenyl)tetrazol-1-acetic acid；Hnptza；5-(4-Nitrophenyl)-1-tetrazoleacetic acid；2-[5-(4-Nitrophenyl)tetrazol-1-yl]acetic acid
• CAS: 81595-05-3
• 化学式: C₉H₇N₅O₄
• 分子量: 249.186
• InChiKey: JVLOHDHORNAWRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 manganese(II) perchlorate hexahydrate 、 5-(4-nitrophenyl)-1H-tetrazolylacetic acid 以 甲醇 、 水 为溶剂， 以39%的产率得到[Mn(5-(4-nitrophenyl)tetrazol-1-acetato)2(methanol)4]
  参考文献：
  名称：

  Three Mn(II) supramolecular coordination complexes containing carboxylate–tetrazolate ligands

  摘要：

  Three novel complexes [Mn(atza)(2)(H2O)(4)] (1), [Mn(nptza)(2)(CH3OH)(4)] (2), and [Mn(a4-ptz)(2)(H2O)(2)](n) center dot 2nH(2)O] (3) [atza = 5-aminotetrazole-1-acetato, nptza = 5-[(4-nitryl) phenyl] tetrazole-1-acetato, a4-ptz = 5-[N-acetato(4-pyridyl)] tetrazole] containing carboxylate-tetrazolate ligands have been synthesized and characterized by element analysis. X-ray crystallography shows that complexes 1 and 2 both contain mononuclear structure. The complex 3 is a 1D polymeric chain structure. Compounds 1-3 are self-assembled to form supramolecular structures through hydrogen bonds interactions. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.06.011
• 作为产物：
  描述：

  [5-(4-Nitro-phenyl)-tetrazol-1-yl]-acetic acid ethyl ester 以84%的产率得到
  参考文献：
  名称：

  POPLAVSKIJ, V. S.;OSTROVSKIJ, V. A.;KOLDOBSKIJ, G. I.;KULIKOVA, E. A., XIMIYA GETEROTSIKL. SOEDIN., 1982, N 2, 264-266

  摘要：

  DOI：

文献信息

• Aldose reductase inhibitor
  申请人：Wakamoto Pharmaceutical Co., Ltd.

  公开号：EP0388967B1

  公开（公告）日：1995-06-28
• US5055481A
  申请人：——

  公开号：US5055481A

  公开（公告）日：1991-10-08
• USRE35281E
  申请人：——

  公开号：USRE35281E

  公开（公告）日：1996-06-18
• Three Mn(II) supramolecular coordination complexes containing carboxylate–tetrazolate ligands
  作者：Gao-Wen Yang、Qiao-Yun Li、Yi Zhou、Guo-Qing Gu、Yun-Sheng Ma、Rong-Xin Yuan

  DOI：10.1016/j.ica.2008.06.011

  日期：2009.3

  Three novel complexes [Mn(atza)(2)(H2O)(4)] (1), [Mn(nptza)(2)(CH3OH)(4)] (2), and [Mn(a4-ptz)(2)(H2O)(2)](n) center dot 2nH(2)O] (3) [atza = 5-aminotetrazole-1-acetato, nptza = 5-[(4-nitryl) phenyl] tetrazole-1-acetato, a4-ptz = 5-[N-acetato(4-pyridyl)] tetrazole] containing carboxylate-tetrazolate ligands have been synthesized and characterized by element analysis. X-ray crystallography shows that complexes 1 and 2 both contain mononuclear structure. The complex 3 is a 1D polymeric chain structure. Compounds 1-3 are self-assembled to form supramolecular structures through hydrogen bonds interactions. (C) 2008 Elsevier B. V. All rights reserved.
• POPLAVSKIJ, V. S.;OSTROVSKIJ, V. A.;KOLDOBSKIJ, G. I.;KULIKOVA, E. A., XIMIYA GETEROTSIKL. SOEDIN., 1982, N 2, 264-266
  作者：POPLAVSKIJ, V. S.、OSTROVSKIJ, V. A.、KOLDOBSKIJ, G. I.、KULIKOVA, E. A.

  DOI：——

  日期：——