6-(4-氯苯基)-2-氧代-1,2-二氢吡啶-3-腈 | 23148-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-(4-氯苯基)-2-氧代-1,2-二氢吡啶-3-腈
• 英文名称: 6-(4-Chlorphenyl)-3-cyan-2-pyridon
• 英文别名: 6-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile；6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
• CAS: 23148-51-8
• 化学式: C₁₂H₇ClN₂O
• mdl: MFCD00202790
• 分子量: 230.653
• InChiKey: JZMASTOHXMIBJG-UHFFFAOYSA-N

物化性质

• 熔点：
  325-329 °C
• 沸点：
  458.6±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  6-(4-氯苯基)-2-氧代-1,2-二氢吡啶-3-腈 生成 2-氯-6-(4-氯苯基)烟腈
  参考文献：
  名称：

  MIESEL, J. L.

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium;(Z)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-olate 、 氰乙酰胺 在 哌啶乙酸盐 作用下， 以 水 为溶剂， 反应 0.17h， 以61%的产率得到6-(4-氯苯基)-2-氧代-1,2-二氢吡啶-3-腈
  参考文献：
  名称：

  Synthesis ofN-Glycosylated Pyridiines as New Antimetabolite Agents

  摘要：

  Condensation of cyanoacetamide and cyanothioacetamide with the sodium salts of alpha-(hydroxymethylene)alkanones afforded the pyridine-2(1H)-ones and their corresponding thiones 3. Compounds 3 served as a key intermediates for the synthesis of N-glycosylated pyridines.

  DOI：

  10.1080/07328319908044886

文献信息

• 1-Benzoyl-3-(arylphyridyl)urea compounds
  申请人：Eli Lilly and Company

  公开号：US04405552A1

  公开（公告）日：1983-09-20

  The present invention is directed to 1-benzoyl-3-(arylpyridyl)urea compounds useful as insecticides.

  本发明涉及作为杀虫剂有用的1-苯甲酰基-3-(芳基吡啶基)脲化合物。
• Is the Herbicidal Activity of 3-Cyanopyridin-2-yl Phosphates Related to Phosphatase?
  作者：Ping Wei、Qi Hui、Xin-Ying Zhang、Li-Min Yu、Miao Wang、Yi-Xiang Ding

  DOI：10.1080/10426500802514442

  日期：2009.10.13

  The herbicidal activity of 3-cyanopyridin-2-yl phosphates, which were designed according to the idea of a mechanism-based inactivator, is probably related to a phosphatase.

  根据基于机制的灭活剂的思想设计的 3-氰基吡啶-2-基磷酸酯的除草活性可能与磷酸酶有关。
• 1-Benzoyl-3-(arylpyridyl)urea compounds
  申请人：Eli Lilly and Company

  公开号：US04508722A1

  公开（公告）日：1985-04-02

  The present invention is directed to 1-benzoyl-3-(arylpyridyl)urea compounds useful as insecticides.

  本发明涉及作为杀虫剂有用的1-苯甲酰基-3-(芳基吡啶基)脲类化合物。
• Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds
  申请人：ELI LILLY AND COMPANY

  公开号：EP0060071A1

  公开（公告）日：1982-09-15

  Novel compounds of the formula (I): wherein each R is independently H, Br, Cl, F, CH3, or OCH3 X = 0 or S; n = P-1; R' is independently Cl, Br, CH3, or CH3CH2; m = 0-2; and R2 is an optionally substituted phenyl radical, can be prepared by reacting a 2-substituted or 2,6-disubstituted benzoyl isocyanate or isothiocyanate with a 2- or 3-pyridylamine, and are particularly effective insecticidal agents.

  式（I）的新型化合物：其中每个 R 独立地是 H、Br、Cl、F、CH3 或 OCH3 X = 0 或 S；n = P-1；R'独立地是 Cl、Br、CH3 或 CH3CH2；m = 0-2；R2 是任选取代的苯基，可通过 2-取代或 2,6-二取代苯甲酰异氰酸酯或异硫氰酸酯与 2-或 3-吡啶胺反应制备，是特别有效的杀虫剂。
• Nonpeptidic Inhibitors of Human Leukocyte Elastase. 2. Design, Synthesis, and in vitro Activity of a Series of 3-Amino-6-aryl-2-oxopyridyl Trifluoromethyl Ketones
  作者：James R. Damewood、Philip D. Edwards、Scott Feeney、Bruce C. Gomes、Gary B. Steelman、Paul A. Tuthill、Joseph C. Williams、Peter Warner、Sheila A. Woolson

  DOI：10.1021/jm00046a015

  日期：1994.9

  A series of potent nonpeptidic inhibitors of the enzyme human leukocyte elastase (HLE) is reported. These inhibitors contain a 3-amino-2-pyridone ring as a central template in which the pyridone carbonyl and 3-position NH group are thought to form important hydrogen bonding interactions with the Val-216 residue of HLE. Substitution of the 6-position of the pyridone ring by various alkyl and aryl groups was found to afford increases in the in vitro potency of these inhibitors. A 6-position phenyl group, compound 10f, was found to result in a large increase in binding affinity, which was not obtained when the phenyl group was placed in either the 4- or 5-position of the molecule. Compound 10f was found to have good selectivity for HLE over other proteolytic enzymes, with the exception of bovine pancreatic chymotrypsin (BPC). Substitution of the 6-phenyl group in these molecules was found to decrease binding affinity for BPC without adversely affecting affinity for HLE.