2-phenyl-4-(3-pyridyliden)-5(4H)-oxazolone | 5086-43-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-phenyl-4-(3-pyridyliden)-5(4H)-oxazolone
• 英文别名: 2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one；2-Phenyl-4--5-oxo-oxazolin；2-Phenyl-4-<3-pyridylmethylen>-2-oxazolin-on-(5)；2-phenyl-4-pyridin-3-ylmethylene-4H-oxazol-5-one；2-phenyl-4-[3]pyridylmethylen-4H-oxazol-5-one；2-Phenyl-4-[3]pyridylmethylen-4H-oxazol-5-on；2-Phenyl-4-(3-pyridylmethylene)-2-oxazolin-5-one；2-phenyl-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
• CAS: 5086-43-1
• 化学式: C₁₅H₁₀N₂O₂
• 分子量: 250.257
• InChiKey: VLVHAYVBYFGEEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-phenyl-4-(3-pyridyliden)-5(4H)-oxazolone 在 palladium on activated charcoal 、 溶剂黄146 作用下， 生成 2-(benzoylamino)-3-(3-pyridinyl)-propanoic acid
  参考文献：
  名称：

  Wibaut et al., Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1049,1053

  摘要：

  DOI：
• 作为产物：
  描述：

  3-吡啶甲醛 、 马尿酸 在 三氧化硫 N,N-二甲基甲酰胺络合物 作用下， 生成 2-phenyl-4-(3-pyridyliden)-5(4H)-oxazolone
  参考文献：
  名称：

  由吡啶醛-I合成：I [6] [H]-和7 [H]-吡啶

  摘要：

  已经对6 [H]和7 [H]-嘧啶进行了高产率的合成。尚未报告前者的铃声系统。关于所用试剂中存在的结构特征讨论了反应路线。

  DOI：

  10.1016/0040-4020(66)80098-4

文献信息

• Asymmetric Trienamine Catalysis for the Construction of Structurally Rigid Cyclic α,α-Disubstituted Amino Acid Derivatives
  作者：Hao Jiang、Björn Gschwend、Łukasz Albrecht、Signe Grann Hansen、Karl Anker Jørgensen

  DOI：10.1002/chem.201101539

  日期：2011.8.8

  stereoselective Diels–Alder reactions with olefinic azlactones by asymmetric trienamine catalysis. The obtained cycloadducts are easily transformed into the corresponding cyclic α,α‐disubstituted N‐protected amino acid methyl esters under mild reaction conditions. Furthermore, it is demonstrated that in situ ligation of the crude cycloaddition products with amino acid hydrochloride salts leads to the

  通过不对称的三烯胺催化，显示2,4-二烯醛与烯烃氮杂内酯发生高度立体选择性的狄尔斯-阿尔德反应。在温和的反应条件下，将获得的环加合物轻松转化为相应的环状α，α-二取代的N-保护的氨基酸甲基酯。此外，已证明粗制环加成产物与氨基酸盐酸盐的原位连接导致以单罐方式形成非天然二肽基序。
• Oxoalkanoic acid derivatives as inhibitors of angiotensin converting
  申请人：——

  公开号：US04329473A1

  公开（公告）日：1982-05-11

  This invention relates to novel analogs of proline terminal tripeptides and related compounds and is typified by ##STR1## The compounds are potent inhibitors of angiotensin converting enzyme and as such are useful as antihypertensive agents.

  本发明涉及脯氨酸末端三肽的新型类似物和相关化合物，其代表为##STR1## 这些化合物是血管紧张素转化酶的有效抑制剂，因此可用作降压剂。
• Synthesis and quantitative structure–activity relationships study for phenylpropenamide derivatives as inhibitors of hepatitis B virus replication
  作者：Jing Yang、Min Ma、Xue-Ding Wang、Xing-Jun Jiang、Yuan-Yuan Zhang、Wei-Qing Yang、Zi-Cheng Li、Xi-Hong Wang、Bin Yang、Meng-Lin Ma

  DOI：10.1016/j.ejmech.2015.05.032

  日期：2015.6

  A series of new phenylpropenamide derivatives containing different substituents was synthesized, characterized and evaluated for their anti-hepatitis B virus (HBV) activities. The quantitative structure activity relationships (QSAR) of phenylpropenamide compound have been studied. The 2D-QSAR models, based on OFT and multiple linear regression analysis methods, revealed that higher values of total energy (TE) and lower entropy (S-theta) enhanced the anti-HBV activities of the phenylpropenamide molecules. Predictive 3D-QSAR models were established using SYBYL multifit molecular alignment rule. The optimum models were all statistically significant with cross-validated and conventional coefficients, indicating that they were reliable enough for activity prediction. (C) 2015 Elsevier Masson SAS. All rights reserved.
• Dayakar; Mounika; Rajkumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2018, p. 98 - 107
  作者：Dayakar、Mounika、Rajkumar、Zehra、Murthy、Kalivendi, Shasi V.、Tiwari、China Raju

  DOI：——

  日期：——
• The Synthesis of Polymers and Copolymers of β-(3-Pyridyl)-DL-alanine^1a,b
  作者：Russell K. Griffith、H. James Harwood

  DOI：10.1021/jo01032a043

  日期：1964.9