4-(nitrophenylmethyl)pyridine

• 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
• 英文名称: 4-(nitrophenylmethyl)pyridine
• 英文别名: 4-(Nitrobenzyl)-pyridin；4-[nitro(phenyl)methyl]pyridine
• 化学式: C₁₂H₁₀N₂O₂
• 分子量: 214.224
• InChiKey: AZCKVTHZYMBDFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(nitrophenylmethyl)pyridine 在 乙酸铵 、 Selectfluor 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以25%的产率得到4-fluoronitro-phenylpyridin-4-ylmethane
  参考文献：
  名称：

  Sonochemical fluorination of heterocyclic nitro compounds with Selectfluor™ (F-TEDA-BF4)

  摘要：

  CH and CH2 groups attached to a heterocycle and a nitro function were rapidly mono- or difluorinated by reaction with 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane bis-tetrafluoroborate (Selectfluor) in the presence of 1,8-diazabicyclo [5.4.0]undec-7-ene (DBU), preferably with Ultrasonic irradiation. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.037
• 作为产物：
  描述：

  4-苄基吡啶 在 lithium diisopropyl amide 、 硝酸甲酯 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.08h， 以77%的产率得到4-(nitrophenylmethyl)pyridine
  参考文献：
  名称：

  Fluorination and chlorination of nitroalkyl groups

  摘要：

  Heterocycles substituted with a nitromethyl (CH2NO2) or phenyl-nitromethyl (CHPhNO2) group were prepared by reaction of a methyl- or phenylmethyl-substituted heterocycle, respectively, with lithium di-isopropylamide followed by quenching the intermediate carbanion with methyl nitrate. Conversion of CH2NO2 attached to an alkyl or aryl moiety into a dichloronitromethyl (CCl2NO2) group was achieved using N-chlorosuccinimide and 1,8-diazabicyclo[5.4.0] undec-7-ene (DBU) in dichloromethane. Similarly, CH2NO2 attached to an alkyl or aryl group was converted into difluoronitromethyl (CF2NO2) using either 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis( tetrafluoroborate) (Selectfluor (TM)) or N-fluorobenzenesulfonimide with DBU as base and dichloromethane as solvent. Reaction of omega-nitroacetophenone with Selectfluor/DBU in dimethylformamide followed by acidification and distillation gave the parent difluoronitromethane in a useful 'one-pot' procedure. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.08.020

文献信息

• Cytochrome P450 oxygenases
  申请人：California Institute of Technology

  公开号：US20030100744A1

  公开（公告）日：2003-05-29

  Nucleic acids encoding cytochrome P450 variants are provided. The cytochrome P450 variants of have a higher alkane-oxidation capability, alkene-oxidation capability, and/or a higher organic-solvent resistance than the corresponding wild-type or parent cytochrome P450 enzyme. A preferred wild-type cytochrome P450 is cytochrome P450 BM-3. Preferred cytochrome P450 variants include those having an improved capability to hydroxylate alkanes and epoxidate alkenes comprising less than 8 carbons, and have amino acid substitutions corresponding to V78A, H236Q, and E252G of cytochrome P450 BM-3. Preferred cytochrome P450 variants also include those having an improved hydroxylation activity in solutions comprising co-solvents such as DMSO and THF, and have amino acid substitutions corresponding to T235A, R471A, E494K, and S1024E of cytochrome P450 BM-3.

  提供了编码细胞色素P450变体的核酸。这些细胞色素P450变体具有比相应的野生型或母体细胞色素P450酶更高的烷基氧化能力、烯烃氧化能力和/或更高的有机溶剂抗性。首选的野生型细胞色素P450是细胞色素P450 BM-3。首选的细胞色素P450变体包括那些具有改进的烷基羟化和烯烃环氧化能力，包括少于8个碳的，并且具有与细胞色素P450 BM-3的V78A、H236Q和E252G对应的氨基酸替换。首选的细胞色素P450变体还包括那些在包含DMSO和THF等共溶剂的溶液中具有改进的羟化活性，并具有与细胞色素P450 BM-3的T235A、R471A、E494K和S1024E对应的氨基酸替换。
• CYTOCHROME P450 OXYGENASES
  申请人：Farinas Edgardo T.

  公开号：US20120184015A1

  公开（公告）日：2012-07-19

  Nucleic acids encoding cytochrome P450 variants are provided. The cytochrome P450 variants of have a higher alkane-oxidation capability, alkene-oxidation capability, and/or a higher organic-solvent resistance than the corresponding wild-type or parent cytochrome P450 enzyme. A preferred wild-type cytochrome P450 is cytochrome P450 BM-3. Preferred cytochrome P450 variants include those having an improved capability to hydroxylate alkanes and epoxidate alkenes comprising less than 8 carbons, and have amino acid substitutions corresponding to V78A, H236Q, and E252G of cytochrome P450 BM-3. Preferred cytochrome P450 variants also include those having an improved hydroxylation activity in solutions comprising co-solvents such as DMSO and THF, and have amino acid substitutions corresponding to T235A, R471A, E494K, and S1024E of cytochrome P450 BM-3.

  提供了编码细胞色素P450变体的核酸。这些细胞色素P450变体具有比相应的野生型或亲本细胞色素P450酶更高的烷烃氧化能力、烯烃氧化能力和/或更高的有机溶剂耐受性。首选的野生型细胞色素P450是细胞色素P450 BM-3。首选的细胞色素P450变体包括那些具有改进的烷烃羟化和含有少于8个碳的烯烃环氧化能力，并且具有与细胞色素P450 BM-3的V78A、H236Q和E252G相对应的氨基酸替换。首选的细胞色素P450变体还包括那些在含有二甲亚砜和四氢呋喃等共溶剂的溶液中具有改进的羟化活性，并且具有与细胞色素P450 BM-3的T235A、R471A、E494K和S1024E相对应的氨基酸替换。
• Bestimmung von Epoxiden und Aldehyden in Gasen
  申请人：BAYER AG

  公开号：EP1279956A2

  公开（公告）日：2003-01-29

  Die vorliegende Erfindung betrifft eine einfache optische Erfassung der Epoxidund/oder Aldehydkonzentration in den Abgasen chemischer Reaktionen, insbesondere von Propenoxid und/oder Acrolein, zum Beispiel in der katalysierten partiellen Oxidation von Propen. Die Konzentration des Epoxids/Aldehyds kann nach einem Entwicklungsvorgang visuell quantitativ abgeschätzt werden oder durch eine Digitalisierung des erhaltenen Bildes auf der Detektionsplatte ausgewertet werden.

  本发明涉及对化学反应废气中环氧化物和/或醛浓度的简单光学检测，特别是环氧丙烷和/或丙烯醛，例如在丙烯的催化部分氧化过程中。环氧化物/醛的浓度可在显影过程后通过目测进行定量估计，或通过对检测板上获得的图像进行数字化评估。
• Sonochemical fluorination of heterocyclic nitro compounds with Selectfluor
  作者：Majid M. Sadeghi、Hossein Loghmani-Khouzani、Reza Ranjbar-Karimi、Philip Butler、Bernard T. Golding

  DOI：10.1016/j.tetlet.2006.03.144

  日期：2006.6
• Cytochrom P450 oxygenases
  申请人：Farinas Edgardo T.

  公开号：US20080293928A1

  公开（公告）日：2008-11-27

  Nucleic acids encoding cytochrome P450 variants are provided. The cytochrome P450 variants of have a higher alkane-oxidation capability, alkene-oxidation capability, and/or a higher organic-solvent resistance than the corresponding wild-type or parent cytochrome P450 enzyme. A preferred wild-type cytochrome P450 is cytochrome P450 BM-3. Preferred cytochrome P450 variants include those having an improved capability to hydroxylate alkanes and epoxidate alkenes comprising less than 8 carbons, and have amino acid substitutions corresponding to V78A, H236Q, and E252G of cytochrome P450 BM-3. Preferred cytochrome P450 variants also include those having an improved hydroxylation activity in solutions comprising co-solvents such as DMSO and THF, and have amino acid substitutions corresponding to T235A, R471A, E494K, and S1024E of cytochrome P450 BM-3.