2,2'-biquinazoline-4,4'-(3H,3'H)-dione | 49556-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,2'-biquinazoline-4,4'-(3H,3'H)-dione
• 英文别名: 3H,3'H-[2,2']biquinazolinyl-4,4'-dione；2,2'-4(3H),4'(3'H)-diquinazoline；2,2'-Di-chinazolinon-4；[2,2'-Biquinazoline]-4,4'-diol；2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
• CAS: 49556-31-2
• 化学式: C₁₆H₁₀N₄O₂
• 分子量: 290.281
• InChiKey: PHRSLCCJAHECCV-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C(Solvent: Acetic acid)
• 沸点：
  530.7±33.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-biquinazoline-4,4'-(3H,3'H)-dione 、 三氯氧磷 、 五氯化磷 生成 4-chloro-2-(4-chloroquinazolin-2-yl)quinazoline
  参考文献：
  名称：

  HAGINIWA JOJU; HIGUCHI YOSHIHIRO; YAMAMOTO YOKO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR. , 1975, 95+

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氨基苯甲酸 在 溶剂黄146 作用下， 反应 1.0h， 生成 2,2'-biquinazoline-4,4'-(3H,3'H)-dione
  参考文献：
  名称：

  A new library of 4(3H)- and 4,4′(3H,3H′)-quinazolinones and 2-(5-alkyl-1,2,4-oxadiazol-3-yl)quinazolin-4(3H)-one obtained from diaminoglyoxime

  摘要：

  New and efficient approaches are developed for the synthesis of a series of 4(3H)- and 4,4'(3H,3H')-quinazolinone derivatives and 2-(5-alkyl-1,2,4-oxadiazol-3-yl)quinazolin-4(3H)-one in good yields, via the reactions of diaminoglyoxime and anthranilic acid derivatives or methyl 2-aminobenzoate and acetic anhydride in acetic acid as the solvent under reflux conditions. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.065

文献信息

• A Series of [Co(Mabiq)Cl_2–<i>n</i>] (<i>n</i> = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form
  作者：Emma V. Puttock、Priyabrata Banerjee、Manuel Kaspar、Liam Drennen、Dmitry S. Yufit、Eckhard Bill、Stephen Sproules、Corinna R. Hess

  DOI：10.1021/acs.inorgchem.5b00636

  日期：2015.6.15

  The synthesis and characterization of a series of cobalt compounds, coordinated by the redox-active macrocyclic biquinazoline ligand, Mabiq [2-4:6-8-bis (3,3,4,4-tetramethyldihydropyrrolo)-10 15- (2,2'-biquinazolino)-[15]-1,3,5,8,10,14-hexaene-1,3,7,9,11,14-N-6], is presented. The series includes the monometallic Co(Mabiq)Cl-2 (1), Co(Mabiq)Cl (2), and Co(Mabiq) (4), with formal metal oxidation states of 3+ > 1+. A binuclear cobaltous compound, Co-2(Mabiq)Cl-3 (3), also was obtained, providing the first evidence for the ability of the Mabiq ligand to coordinate two metal ions. The electronic structures of the paramagnetic 2 and 3 were examined by electron paramagnetic resonance spectroscopy and magnetic susceptibility studies. The Co-II ion that resides in the N-4-macrocylic cavity of 2 and 3 adopts a low-spin S = 1/2 configuration. The bypirimidine functionality in 3 additionally coordinates a high-spin S = 3/2 cobaltous ion in a tetrahedral environment. The two metal ions in 3 are wealdy coupled by magnetometry. The square-planar, low-valent 4 offers one of a limited number of examples of structurally characterized N-4-macrocyclic Co-I compounds. Spectroscopic and density functional theory computational data suggest that a Co-II(Mabiq(center dot)) description may be a reasonable alternative to the Co-I formalism for this compound.
• Benzoxazinone and quinazolinone derivatives
  申请人：Honeywell International, Inc.

  公开号：US20040219390A1

  公开（公告）日：2004-11-04

  Benzoxazinone and quinazolinone compounds useful in organic light emitting devices (OLEDS) are described.
• A new library of 4(3H)- and 4,4′(3H,3H′)-quinazolinones and 2-(5-alkyl-1,2,4-oxadiazol-3-yl)quinazolin-4(3H)-one obtained from diaminoglyoxime
  作者：Abolghasem Moghimi、Rahim Hosseinzadeh Khanmiri、Ismail Omrani、Ahmad Shaabani

  DOI：10.1016/j.tetlet.2013.05.065

  日期：2013.7

  New and efficient approaches are developed for the synthesis of a series of 4(3H)- and 4,4'(3H,3H')-quinazolinone derivatives and 2-(5-alkyl-1,2,4-oxadiazol-3-yl)quinazolin-4(3H)-one in good yields, via the reactions of diaminoglyoxime and anthranilic acid derivatives or methyl 2-aminobenzoate and acetic anhydride in acetic acid as the solvent under reflux conditions. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.
• HAGINIWA JOJU; HIGUCHI YOSHIHIRO; YAMAMOTO YOKO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR. <YKKZ-AY>, 1975, 95+
  作者：HAGINIWA JOJU、 HIGUCHI YOSHIHIRO、 YAMAMOTO YOKO

  DOI：——

  日期：——