4-nitrofuraldehyde | 57500-49-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 4-nitrofuraldehyde
• 英文别名: 4-nitrofurfural；4-nitro-2-furaldehyde；2-Furancarboxaldehyde, 4-nitro-；4-nitrofuran-2-carbaldehyde
• CAS: 57500-49-9
• 化学式: C₅H₃NO₄
• mdl: MFCD18813976
• 分子量: 141.083
• InChiKey: LRRBMMMGCYHUNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-nitrofuraldehyde 、 4-(2-mercaptobenzooxazol-5-yl)thiosemicarbazide 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  Thiocarbamoylation of amine-containing compounds

  摘要：

  DOI：

  10.1007/bf02496266

文献信息

• 一种新型离子型水杨醛席夫碱锆配合物的制备方法及应用
  申请人：山西医科大学

  公开号：CN110437100B

  公开（公告）日：2022-03-11

  本发明属于催化有机合成技术领域，具体涉及一种新型离子型水杨醛席夫碱锆配合物的制备方法及应用。本发明为阳离子型配合物，由锆原子跟水杨醛席夫碱配体以及水分子配位形成阳离子部分，对应阴离子与锆阳离子部分形成离子键。将水杨醛席夫碱锆二氯化物溶解于溶剂中，并在N2保护下，将银盐加入，室温下避光反应1‑4h，过滤，滤液加入正己烷，直至分层，放入冰箱冷冻24h，析出水杨醛席夫碱锆配合物。水杨醛席夫碱锆配合物具有高的空气稳定性和强的路易斯酸性，能够高效催化醛，1,3‑二羰基化合物和尿素或硫脲反应合成3,4‑二氢嘧啶‑2‑酮或3,4‑二氢嘧啶‑2‑硫酮衍生物。
• Tetrahydroindolocarbazoles (THICZs) as new class of urokinase (uPA) inhibitors: Synthesis, anticancer evaluation, DNA-damage determination, and molecular modelling study
  作者：Marwa A.M.Sh. El-Sharief、Mohamed H. El-Naggar、Entesar M. Ahmed、Shahenda M. El-Messery、Abeer E. Mahmoud、Mamdouh M. Ali、Lamiaa M. Salem、Karima F. Mahrous、Mardia T. El Sayed

  DOI：10.1016/j.bioorg.2018.06.033

  日期：2018.10

  Tetrahydroindolocarbazoles (THICZs) with versatile substituents, have been designed, synthesized, structure characterized, then investigated for their in-vitro anticancer screening, urokinase inhibition (uPA) evaluated, DNA-damage determination was further explored. Compounds 5, 8, 10 and 17 displayed the most promising antitumor activities against the breast cancer cell line as compared to the standard drug, doxorubicin with IC50 = 5.24 +/- 0.37, 4.00 +/- 0.52, 7.20 +/- 0.90 and 9.60 +/- 1.10 mu g/ml (versus 3.30 +/- 0.48 mu g/ml for doxorubicin). Compounds 5, 8, 10 and 17 represents the most significant uPA inhibitors of our study with IC50 of 3.80, 2.70. 4.75, 10.80 (ng/ml) respectively. The expression levels of CDKN2A gene were decreased in 8, 10 and 17 cell lines as compared to those in positive control samples. Cell lines treated with 5, 8, 10 and 17 clearly observed a high score of damaged DNA cells. A deeper examination revealed that our hetroaromatics showed an extensive hydrogen bonding interactions that is required in the S pocket which is important for activity Arg 217, Gly 219, Gly 216, Lys 143 and Ser 190. So we present THICZs as promising uPA inhibitors expected as significant promise for further development as anti-invasiveness drugs.
• The synthesis of ferrocenyl compounds with second-order optical non-linearities
  作者：Heather E. Bunting、Malcolm L.H. Green、Seth R. Marder、Mark E. Thompson、David Bloor、P.V. Kolinsky、R.J. Jones

  DOI：10.1016/s0277-5387(00)83142-3

  日期：——

  A series of new donor-acceptor compounds of the form (eta-C5H5)Fe(eta-C5H4) CH = CHR, where R is a pi-acceptor group and the ferrocenyl moiety is a donor has been synthesized. Reaction of the ylide (eta-C5H5)Fe(eta-C5H4)CH = P(C6H5)3 (3), generated in situ with various aldehydes, proceeds smoothly. The ferrocenyl compounds were screened for second harmonic generation efficiencies using 1.907-mu-m light generated by Raman shifting the 1.064-mu-m light from an Nd-YAG laser, using a high pressure hydrogen cell. Several of the compounds had efficiencies greater than the urea reference standard.