4-METHYL-3-NITRO-PHENYLISOCYANIDE | 1930-92-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-METHYL-3-NITRO-PHENYLISOCYANIDE
• 英文别名: 4-Isocyano-1-methyl-2-nitrobenzene
• CAS: 1930-92-3
• 化学式: C₈H₆N₂O₂
• mdl: MFCD01937392
• 分子量: 162.148
• InChiKey: SYOOTANVMYGYGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  50.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-METHYL-3-NITRO-PHENYLISOCYANIDE 、 2-碘代苯甲酮 在 2,6-二甲基吡啶 、 copper(I) oxide 作用下， 以 水 为溶剂， 反应 1.0h， 以80%的产率得到2-benzoyl-N-(4-methyl-3-nitrophenyl)benzamide
  参考文献：
  名称：

  Nanodomain cubic copper (I) oxide as reusable catalyst for the synthesis of amides by amidation of aryl halides with isocyanides

  摘要：

  An environmentally benign chemical process for the C-C coupling of aryl halides with isocyanides in aqueous medium has been developed using cubic copper (I) oxide nanoparticles as reusable catalyst. The use of nano-catalyst eliminates the use of any stabilizing ligands or additives as well as the use of organic solvents. The catalyst exhibited comparable efficiency up to three recycles and was found to be very effective for the synthesis of varied amides leading to biologically significant scaffold. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.12.060
• 作为产物：
  描述：

  甲酸-(4-甲基-3-硝基-苯胺) 在 三聚氯氰 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.05h， 以90%的产率得到4-METHYL-3-NITRO-PHENYLISOCYANIDE
  参考文献：
  名称：

  微波辅助合成异腈：一种通用的简单方法

  摘要：

  描述了在非常温和的条件下和微波辐射下甲酰胺向异腈的容易转化。这种简单而有效的方法已被用于高产率地合成脂族和芳族异腈。

  DOI：

  10.1021/jo047924f

文献信息

• New synthesis of substituted indole derivatives via vicariousnucleophilic substitution of hydrogen
  作者：K. Wojciechowski、M. Mąkosza

  DOI：10.1016/s0040-4039(01)81521-5

  日期：——

  Carbanions bearing leaving groups react with m-nitrophenyl isocyanides to form products of vicarious nucleophilic substitution of hydrogen which subsequently cyclize to corresponding indoles.

  带有离去基团的碳负离子与间硝基苯基异氰酸酯反应形成氢的亲核取代基，随后环化成相应的吲哚。
• 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I
  申请人：METZ, JR. William Arthur

  公开号：US20090082340A1

  公开（公告）日：2009-03-26

  The present invention discloses and claims methods for the treatment of a patient suffering from a disease or disorder ameliorated by inhibition of casein kinase Iε activity comprising the administration of a compounds of formula (I) and formula (II) as inhibitors of human casein kinase Iε, and methods of using said compounds of formula (I) and formula (II) for treating central nervous system diseases and disorders including mood disorders and sleep disorders. The R-group substituents are defined herein and pharmaceutical compositions comprising compounds of formula (I) or formula (II) useful in the claimed methods of treatment are also disclosed.

  本发明揭示和声明了治疗因抑制酪蛋白激酶Iε活性而改善的疾病或疾病患者的方法，包括给予公式（I）和公式（II）化合物作为人类酪蛋白激酶Iε的抑制剂，并使用公式（I）和公式（II）化合物治疗中枢神经系统疾病和疾病，包括情绪障碍和睡眠障碍的方法。本文中定义了R基取代基，还揭示了包含公式（I）或公式（II）化合物的制药组合物，可用于所声明的治疗方法。
• RADIOPROTECTOR COMPOUNDS AND METHODS
  申请人：Martin Roger Francis

  公开号：US20130109678A1

  公开（公告）日：2013-05-02

  The invention relates to novel compounds, processes for their preparation and their use in protecting biological materials from radiation damage (radioprotection). Preferred compounds of the invention are those of Formula II, as follows: wherein W represents —N(R 1 R 2 ) where R 1 and R 2 are not both hydrogen and where they may together form a 5, 6 or 7 membered ring structure, —NHN(R 1 R 2 ), —NHR 3 N(R 1 R 2 ), —NHR 3 OR 2 , —N(R 3 )R 3 OR 2 , —N(R 1 )R 3 OR 3 OR 3 , —OR 3 NR 1 R 2 , —OR 3 or W represents piperidyl, piperazinyl, morpholinyl, thiomorpholinyl or diazepanyl each of which may be optionally substituted by C 1 to C 4 alkyl, C 2 to C 4 alkenyl, —N(CO)N(R 1 R 2 ), —N(CO)OR 1 , —N(CO)OR 3 OH, —(CO)NR 1 R 2 , —R 3 (CO)NR 1 R 2 , —R 3 OR 1 , —OR 1 , —N(R 1 R 2 ) or —NH—; R 1 and R 2 are the same or different and are selected from hydrogen, C 1 to C 4 alkyl or C 2 to C 4 alkenyl; R 3 is a C 1 to C 4 alkyl or C 2 to C 4 alkenyl group or chain; Z is the same or different and represents N or CH; Z′ is the same or different and represents N or C; X represents CH, N or NH, where is a double bond when X is CH or N and a single bond when X is NH; X′ represents N or NH, wherein when X is CH or NX′ is NH and wherein X and X′ are different and further where is a double bond when X′ is N and a single bond when X′ is NH; Q represents H, alkoxyl, —NR 1 R 2 , F or Cl; Q 1 is absent when Z′ is N and when Z′ is C it represents H, alkoxyl, —NR 1 R 2 , F or Cl; A represents a five to ten membered single or multiple ring structure with heterocyclic N or O located at the ortho position, said ring including optional double bonds, substitutions and/or other heteroatoms and pharmaceutically acceptable derivatives thereof.

  本发明涉及新化合物、其制备方法及其在保护生物材料免受辐射损伤（辐射防护）方面的用途。本发明的首选化合物是式 II 所示的化合物，其结构如下：其中，W 代表 —N(R1R2)，其中 R1 和 R2 不全为氢，且它们可以一起形成 5、6 或 7 成员环结构，—NHN(R1R2)、—NHR3N(R1R2)、—NHR3OR2、—N(R3)R3OR2、—N(R1)R3OR3OR3、—OR3NR1R2、—OR3 或 W 代表哌啶基、哌嗪基、吗啉基、硫代吗啉基或二氮杂环庚烷基，每个基团可以选择地被 C1 到 C4 烷基、C2 到 C4 烯基、—N(CO)N(R1R2)、—N(CO)OR1、—N(CO)OR3OH、—(CO)NR1R2、—R3(CO)NR1R2、—R3OR1、—OR1、—N(R1R2) 或 —NH— 取代；R1 和 R2 相同或不同，选择自氢、C1 到 C4 烷基或 C2 到 C4 烯基；R3 是 C1 到 C4 烷基或 C2 到 C4 烯基基团或链；Z 相同或不同，代表 N 或 CH；Z′ 相同或不同，代表 N 或 C；X 代表 CH、N 或 NH，其中当 X 是 CH 或 N 时为双键，当 X 是 NH 时为单键；X′ 代表 N 或 NH，其中当 X 是 CH 或 N 时，X′ 为 NH，且 X 和 X′ 不同，进一步地，当 X′ 为 N 时为双键，当 X′ 为 NH 时为单键；Q 代表 H、烷氧基、—NR1R2、F 或 Cl；当 Z′ 为 N 时，Q1 不存在，当 Z′ 为 C 时，Q1 代表 H、烷氧基、—NR1R2、F 或 Cl；A 代表具有杂环 N 或 O 的五到十成员单环或多环结构，该环在邻位位置包括可选的双键、取代基和/或其他杂原子，以及其药学上可接受的衍生物。
• FR1384209
  申请人：——

  公开号：——

  公开（公告）日：——
• METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US20170283787A1

  公开（公告）日：2017-10-05

  Provided, as a technique for binding a nucleic acid chain and a nucleic acid chain by a natural structure or an analogous structure thereto, is a non-enzymatic nucleic acid chain binding method, which is a method for binding a nucleic acid chain and a nucleic acid chain not via an enzymatic reaction, including a step of reacting a nucleic acid chain having a phosphorothioate group and a nucleic acid chain having a hydroxyl group or amino group in the presence of an electrophile.