2-(4-nitrobenzoyl)benzoic acid | 20643-62-3

• 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-(4-nitrobenzoyl)benzoic acid
• 英文别名: 4'-nitro-o-benzoylbenzoic acid；o-(p-Nitrobenzoyl)-benzoesaeure；2-(4-Nitrobenzoyl)-benzoesaeure
• CAS: 20643-62-3
• 化学式: C₁₄H₉NO₅
• 分子量: 271.229
• InChiKey: YCRRSWJVOWGHPN-UHFFFAOYSA-N

物化性质

• 沸点：
  528.1±35.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-nitrobenzoyl)benzoic acid 在 氯化亚砜 作用下， 生成 4'-nitro-o-benzoylbenzoic acid chloride
  参考文献：
  名称：

  Bhatt, M. Vivekananda; Ashry, Shaker H. El, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 6, p. 487 - 491

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4-二甲基-2-苯基-2-噁唑啉 在 盐酸 、 正丁基锂 、 sodium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 33.0h， 生成 2-(4-nitrobenzoyl)benzoic acid
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Sweet 2-Benzoylbenzoic Acid Derivatives

  摘要：

  Twenty-four analogues of the sweet compound 2-(4-methoxybenzoyl)benzoic acid 1 were synthesized and tasted. The structure-sweet taste relationships were studied by means of principal component analysis and by comparison with the existing sweet receptor models. Three possible glucophores were identified, which could correspond to the sites B, E1, and E2 of the Tinti-Nofre model. Some similarities between this class of compounds and isovanillic sweeteners were found.

  DOI：

  10.1021/jf960755i

文献信息

• Cyclization of 2-azidobenzophenones to 3-phenylanthranils. Examples of an intramolecular 1,3-dipolar addition
  作者：J. Herbert Hall、Fred E. Behr、Raymond L. Reed

  DOI：10.1021/ja00769a027

  日期：1972.7
• BHATT M. V.; EL ASHRY S. H., INDIAN J. CHEM., 1980, B19, NO 6, 487-491
  作者：BHATT M. V.、 EL ASHRY S. H.

  DOI：——

  日期：——
• BHATT M. V.; ASHRY S. H. EL; SOMAYAJI V., INDIAN J. CHEM., 1980, B19, NO 6, 473-486
  作者：BHATT M. V.、 ASHRY S. H. EL、 SOMAYAJI V.

  DOI：——

  日期：——
• Synthesis and Structure−Activity Relationships of Sweet 2-Benzoylbenzoic Acid Derivatives
  作者：Anna Arnoldi、Angela Bassoli、Gigliola Borgonovo、Lucio Merlini、Gabriella Morini

  DOI：10.1021/jf960755i

  日期：1997.6.1

  Twenty-four analogues of the sweet compound 2-(4-methoxybenzoyl)benzoic acid 1 were synthesized and tasted. The structure-sweet taste relationships were studied by means of principal component analysis and by comparison with the existing sweet receptor models. Three possible glucophores were identified, which could correspond to the sites B, E1, and E2 of the Tinti-Nofre model. Some similarities between this class of compounds and isovanillic sweeteners were found.
• Bhatt, M. Vivekananda; Ashry, Shaker H. El, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. <B> 19, # 6, p. 487 - 491
  作者：Bhatt, M. Vivekananda、Ashry, Shaker H. El

  DOI：——

  日期：——