1,3-bis(4-cyanophenyl)-2-propen-1-one | 58949-77-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-bis(4-cyanophenyl)-2-propen-1-one
• 英文别名: 4-<3'-(4"-cyanophenyl)-3'-oxoprop-1'-enyl>benzonitrile；4,4'-Dicyan-chalkon；1,3-Bis-(p-cyanphenyl)-2-propen-1-on；1.3-Bis<4-cyanophenyl>-propen-(1)-on-(3)；1,3-Bis(4-cyanophenyl)prop-2-en-1-one；4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzonitrile
• CAS: 58949-77-2
• 化学式: C₁₇H₁₀N₂O
• 分子量: 258.279
• InChiKey: IRJNHDZXPVHAOH-UHFFFAOYSA-N

物化性质

• 熔点：
  216-217 °C
• 沸点：
  504.2±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis(4-cyanophenyl)-2-propen-1-one 在 溶剂黄146 、 锌 作用下， 生成 1,3-Bis(4-cyanophenyl)-1-propanone
  参考文献：
  名称：

  Wagner; Voigt, Pharmazie, 1976, vol. 31, # 8, p. 528 - 532

  摘要：

  DOI：
• 作为产物：
  描述：

  Benzonitrile, 4,4'-(1-hydroxy-3-oxo-1,3-propanediyl)bis- 在 sodium acetate 、 乙酸酐 作用下， 生成 1,3-bis(4-cyanophenyl)-2-propen-1-one
  参考文献：
  名称：

  Eistert,B. et al., Chemische Berichte, 1976, vol. 109, p. 640 - 649

  摘要：

  DOI：

文献信息

• 2,4-bis[(4-amidino)phenyl]furans as anti-Pneumocystis carinii agents
  申请人：The University of North Carolina at Chapel Hill

  公开号：US06127554A1

  公开（公告）日：2000-10-03

  Compounds according to the formula: ##STR1## wherein: R.sub.1 and R.sub.2 are each independently selected from the group consisting of H, loweralkyl, aryl, alkylaryl, aminoalkyl, aminoaryl, halogen, oxyalkyl, oxyaryl, or oxyarylalkyl; R.sub.3 and R.sub.4 are each independently selected from the group consisting of H, loweralkyl, oxyalkyl, alkylaryl, aryl, oxyaryl, aminoalkyl, aminoaryl, or halogen; and X and Y are located in the para or meta positions and are each selected from the group consisting of H, loweralkyl, oxyalkyl, and ##STR2## wherein: each R.sub.5 is independently selected from the group consisting of H, loweralkyl, alkoxyalkyl, hydroxyalkyl, aminoalkyl, alkylaminoalkyl, cycloalkyl, aryl, or alkylaryl or two R.sub.5 groups together represent C.sub.2 to C.sub.10 alkyl, hydroxyalkyl, or alkylene; and R.sub.6 is H, hydroxy, loweralkyl, alkoxyalkyl, hydroxyalkyl, aminoalkyl, alkylamino, lkylaminoalkyl, cycloalkyl, hydroxycycloalkyl, alkoxycycloalkyl, aryl, or alkylaryl; or a pharmaceutically acceptable salt thereof, are disclosed. The compounds are useful for treating Pneumocystis carinii in a subject in need of such treatment.

  化合物的公式为：##STR1##其中：R.sub.1和R.sub.2各自独立地选自以下组：H，低碳基，芳基，烷基芳基，氨基烷基，氨基芳基，卤素，氧烷基，氧芳基或氧芳基烷基；R.sub.3和R.sub.4各自独立地选自以下组：H，低碳基，氧烷基，烷基芳基，芳基，氧芳基，氨基烷基，氨基芳基或卤素；X和Y位于对位或间位，各自选择自以下组：H，低碳基，氧烷基和##STR2##其中：每个R.sub.5独立地选自以下组：H，低碳基，烷氧基烷基，羟基烷基，氨基烷基，烷基氨基烷基，环烷基，芳基或烷基芳基，或两个R.sub.5基团共同代表C.sub.2到C.sub.10的烷基，羟基烷基或烷基烷；R.sub.6是H，羟基，低碳基，烷氧基烷基，羟基烷基，氨基烷基，烷基氨基，烷基氨基烷基，环烷基，羟基环烷基，烷氧基环烷基，芳基或烷基芳基；或其药学上可接受的盐。这些化合物可用于治疗需要此类治疗的主体的卡氏肺孢子虫。
• .alpha.-branched anilines, toluenes, and analogs thereof as factor Xa
  申请人：DuPont Pharmaceuticals Company

  公开号：US05942544A1

  公开（公告）日：1999-08-24

  The present application describes m-amidino phenyl analogs of formula I: ##STR1## wherein D can be amidino and E can be phenyl, which are useful as inhibitors of factor Xa.

  本申请描述了公式I的m-氨基甲酰苯基类似物：##STR1## 其中D可以是氨基甲酰基，E可以是苯基，这些类似物可用作凝血因子Xa的抑制剂。
• Observation of intramolecular dimer radical anion of 1,1-diarylmethanols bearing electron withdrawing groups at room temperature
  作者：Nobuyuki Ichinose、Junpei Hobo、Sachiko Tojo、Tetsuro Majima

  DOI：10.1016/s0009-2614(00)01089-7

  日期：2000.11

  Transient absorption measurement of radical anions of 1,1-diarylmethanols bearing electron-withdrawing groups in dimethyl-formamide at room temperature has revealed that symmetric compounds form intramolecular dimer radical anions as an intermediate of their reductive C-O bond dissociation giving diarylmethyl radicals. The dimer radical. anions showed an absorption band in the near infrared region (NIR) (1000-1600 nm) characteristic to their charge resonance (CR) properties. On the contrary to 1, 1-diarylmethanols, corresponding radical anion of 1,3-diarylpropan-1-ol showed no CR band. It is suggested that formation of dimer radical anions is energetically favorable for diaryl compounds with one-atom spacer but unfavorable for them with three-atom spacer being different From the n = 3 rule for the favorable formation of intramolecular excimers. (C) 2000 Elsevier Science B.V. All rights reserved.
• Biosynthesis of ZrO ₂ for ZrO ₂ @Ag‐S‐CH ₂ COOH as the retrievable catalyst for the one‐pot green synthesis of pyrazoline derivatives and their anticancer evaluation
  作者：Rutikesh Pandit Gurav、Rohit Dattatray Nalawade、Shivaji Dnyandeo Sawant、Nayak Devappa Satyanarayan、Sandeep Ashok Sankpal、Shankar Poshatti Hangirgekar

  DOI：10.1002/aoc.6666

  日期：2022.5

  AbstractIn the present work,Ficus benghalensisleaf extract was used for the synthesis of ZrO2nanoparticles. Further, ZrO2@Ag‐S‐CH2‐COOH was synthesized using biosynthesized ZrO2, and its catalytic potential was examined in the synthesis of pyrazoline from reaction of chalcone and hydrazine hydrate at room temperature. The structural conformation of ZrO2@Ag‐S‐CH2‐COOH has been done using FT‐IR, SEM, EDX, XRD, TGA‐TDA, XPS, and DLS techniques, high turnover number (TON), and high turnover frequency. The ZrO2@Ag‐S‐CH2‐COOH demonstrated outstanding catalytic activity for the synthesis of pyrazolines. The structures of the pyrazoline derivatives were confirmed by FT‐IR,1H and13C NMR, and mass spectrometry techniques. Synthesized pyrazoline were tested for anticancer activity against human lung cancer cell line A549 study and confirmed by molecular docking investigations.
• US06008247
  申请人：——

  公开号：——

  公开（公告）日：——