N-Boc-4-碘-2-甲基苯胺 | 666746-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-Boc-4-碘-2-甲基苯胺
• 中文别名: N-BOC-2-甲基-4-碘苯胺
• 英文名称: tert-butyl (4-iodo-2-methylphenyl)carbamate
• 英文别名: N-Boc-4-iodo-2-methylaniline；tert-butyl N-(4-iodo-2-methylphenyl)carbamate
• CAS: 666746-27-6
• 化学式: C₁₂H₁₆INO₂
• 分子量: 333.169
• InChiKey: MWSFDHVVTSPHOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  N-Boc-4-碘-2-甲基苯胺 在 potassium phosphate 、 仲丁基锂 、 palladium diacetate 、 三环己基膦 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 、 水 、 甲苯 为溶剂， 反应 15.5h， 生成 tert-butyl [4-cyclopropyl-2-(2-oxo-2-phenylethyl)phenyl]carbamate
  参考文献：
  名称：

  EP2669271

  摘要：

  公开号：
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 4-碘-2-甲基苯胺 以 甲苯 为溶剂， 反应 16.0h， 以99%的产率得到N-Boc-4-碘-2-甲基苯胺
  参考文献：
  名称：

  [EN] MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DU COMPLEXE MITOCHONDRIAL I ET MÉTHODES D'UTILISATION

  摘要：

  本文披露了使用线粒体复合物I抑制剂治疗需要抑制线粒体呼吸的疾病或状况的方法。本文还描述了通过联合使用线粒体复合物I抑制剂和第二治疗剂来治疗前列腺癌和乳腺癌等疾病或状况的方法。

  公开号：

  WO2021050547A1

文献信息

• INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Tatani Kazuya

  公开号：US20120129890A1

  公开（公告）日：2012-05-24

  A compound (I) of the present invention, which has an EP 1 receptor antagonism: [wherein A represents a benzene ring or the like; Y 1 represents a C 1-6 alkylene group; Y 2 represents a single bond or the like; R 1 represents a hydrogen atom, a C 1-6 alkyl group or the like; R 2 represents a phenyl group which may have a substituent, a 5-membered aromatic heterocyclic ring which may have a substituent, a 6-membered aromatic heterocyclic ring which may have a substituent or the like; R 3 represents a halogen atom, a C 1-6 alkoxy group or the like; R 4 represents a hydrogen atom or the like; and R 5 represents a hydrogen atom or the like] or a pharmaceutically acceptable salt thereof is provided. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  本发明提供了一种具有EP1受体拮抗作用的化合物（I）[其中A代表苯环或类似结构；Y1代表C1-6烷基亚基；Y2代表单键或类似结构；R1代表氢原子、C1-6烷基团或类似结构；R2代表可能含有取代基的苯基、可能含有取代基的5元芳香杂环、可能含有取代基的6元芳香杂环或类似结构；R3代表卤素原子、C1-6烷氧基团或类似结构；R4代表氢原子或类似结构；R5代表氢原子或类似结构]或其药物可接受的盐。此外，本发明的化合物（I）可用作治疗或预防LUTS的药物，特别是OAB的各种症状。
• [EN] MOLECULARLY TUNABLE HETEROGENEOUS CATALYSTS BY EDGE FUNCTIONALIZATION OF GRAPHITIC CARBONS<br/>[FR] CATALYSEURS HÉTÉROGÈNES MODIFIABLES MOLÉCULAIREMENT PAR UNE FONCTIONNALISATION TERMINALE DE CARBONES GRAPHITIQUES
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2017031050A1

  公开（公告）日：2017-02-23

  Disclosed are surface immobilized (electro)catalysts that may be prepared by a condensation reaction that generates an aromatic unit that is robust to acid and base and elevated temperatures. Among their many desirable characteristics, the catalysts are far less prone to the bimolecular deactivation pathways commonly observed for homogeneous catalysts, and may be used in solvents with a range of polarities and dielectric strengths. The catalysts are suitable for a wide array of thermal catalytic reactions (polymerization, oxidation, hydrogenation, cross- coupling etc. ) and as anodes and or cathodes in fuel cells, electrolyzers, and in batteries and supercapacitors.

  公开了一种表面固定的(电)催化剂，可以通过缩合反应制备，该缩合反应生成一个对酸、碱和高温具有抗性的芳香单元。在它们的许多理想特性中，这些催化剂远不像常见的均相催化剂那样容易通过双分子失活途径，并且可以在具有不同极性和介电常数的溶剂中使用。这些催化剂适用于广泛的热催化反应（如聚合、氧化、氢化、交叉偶联等）以及作为燃料电池、电解槽以及在电池和超级电容器中的阳极和/或阴极。
• Metal-Free Photoinduced Transformation of Aryl Halides and Diketones into Aryl Ketones
  作者：Qiuli Yao、Wenbo Liu、Peng Liu、Linjing Ren、Xuehong Fang、Chao-Jun Li

  DOI：10.1002/ejoc.201801650

  日期：2019.4.30

  The acylation of aryl halides to prepare aryl ketone without metal catalyst represents an important yet challenging topic towards more sustainable ketone synthesis. Described herein, a simple and efficient metal‐free protocol for the acylation of aryl halides with diketone under the irradiation of light, utilizing N‐methylpiperidine as base under air. This reaction can tolerate a wide range of functional

  在不使用金属催化剂的情况下酰化芳基卤化物以制备芳基酮，是向更可持续的酮合成迈出的重要但具有挑战性的课题。本文介绍了一种简单有效的无金属方案，该方案用于在光照射下以N-甲基哌啶为基础在空气中酰化芳基卤化物与二酮。该反应可以耐受各种官能团，并以适中至良好的产率产生相应的酮。
• Substituted benzanilide compound and noxious organism controlling agent
  申请人：Mita Takeshi

  公开号：US20050250822A1

  公开（公告）日：2005-11-10

  The present invention is to provide a novel agricultural chemical, in particular an insecticide or an acaricide, and relates to a substituted benzanilide compound represented by the formula (1): wherein G represents a ring such as G-7, G-13 and G-71, etc., W 1 and W 2 each independently represent oxygen atom or sulfur atom, X represents halogen atom, etc., Y represents C 1 to C 6 alkyl, etc., R 1 , R 2 and R 3 each independently represent hydrogen atom, a C 1 to C 12 alkyl or a C 1 to C 6 alkylthio(C 1 to C 6 ) alkyl, etc., R 4 , R 5 , R 6a and R 6b each independently represent hydrogen atom, a C 1 to C 6 alkyl, a C 1 to C 6 haloalkyl or phenyl which may be substituted by (Z 2 ) p1 , etc., R 6i , R 6j and R 6k each independently represent hydrogen atom or halogen atom, etc., Z 2 represents halogen atom, a C 1 to C 6 haloalkoxy or a C 1 to C 6 alkylsulfonyl, etc., m and n each independently represent integer of 0 to 4, and p1 represents integer of 1 to 5, or a salt thereof, and a noxious organism controlling agent containing these.

  本发明提供了一种新型农药化学品，特别是一种杀虫剂或螨虫剂，涉及一种由式(1)表示的取代苯甲酰胺化合物：其中G代表环，例如G-7、G-13和G-71等，W1和W2分别独立地表示氧原子或硫原子，X表示卤素原子等，Y表示C1到C6烷基等，R1、R2和R3分别独立地表示氢原子、C1到C12烷基或C1到C6烷基硫（C1到C6）烷基等，R4、R5、R6a和R6b分别独立地表示氢原子、C1到C6烷基、C1到C6卤代烷基或苯基，该苯基可以被（Z2）p1等取代，R6i、R6j和R6k分别独立地表示氢原子或卤素原子等，Z2表示卤素原子、C1到C6卤代氧基或C1到C6烷基磺酰基等，m和n分别独立地表示0到4的整数，p1表示1到5的整数，或其盐，以及含有这些的有害生物控制剂。
• BENZANILIDES WITH INSECTICIDAL ACTIVITY
  申请人：Wada Katsuaki

  公开号：US20100062937A1

  公开（公告）日：2010-03-11

  Benzanilides of the formula: in which X represents hydrogen, halogen, nitro, C 1-6 alkylthio, C 1-6 alkylsulfinyl, C 1-6 alkylsulfonyl or C 1-6 alkylsulfonyloxy; Y represents halogen or C 1-6 alkyl; R 1 represents C 1-6 alkyl, C 1-6 alkylthio C 1-6 alkyl, C 1-6 alkylsulfinyl-C 1-6 alkyl or C 1-6 alkylsulfonyl-C 1-6 alkyl; R 2 represents hydrogen, C 1-6 alkyl or C 1-6 haloalkyl; R 3 represents hydrogen or hydroxy; W represents CH or N; and Q represents optionally substituted phenyl or optionally substituted pyridyl wherein the substituent is at least one group selected from the group consisting of halogen, C 1-6 haloalkyl, C 1-6 haloalkoxy, C 1-6 haloalkylthio, C 1-6 haloalkylsulfinyl and C 1-6 haloalkylsulfoxy; provided that when R 3 is hydroxy, R 2 is not C 1-6 alkyl, or when R 2 is C 1-6 haloalkyl, R 3 is hydroxy, W is CH, and the substituents of Q are two or more C 1-6 haloalkyl. Insecticides comprising the benzanilides are herein provided.

  公式为Benzanilides:其中X代表氢、卤素、硝基、C1-6烷基硫、C1-6烷基亚磺酰、C1-6烷基磺酰或C1-6烷基磺酰氧；Y代表卤素或C1-6烷基；R1代表C1-6烷基、C1-6烷基硫、C1-6烷基亚磺酰-C1-6烷基或C1-6烷基磺酰-C1-6烷基；R2代表氢、C1-6烷基或C1-6卤代烷基；R3代表氢或羟基；W代表CH或N；Q代表可选取代的苯基或可选取代的吡啶基，其中取代基至少为以下群中的一种：卤素、C1-6卤代烷基、C1-6卤代烷氧基、C1-6卤代烷基硫、C1-6卤代烷基亚磺酰和C1-6卤代烷基磺酰氧；但当R3为羟基时，R2不是C1-6烷基，或当R2为C1-6卤代烷基，R3为羟基，W为CH，且Q的取代基为两个或以上的C1-6卤代烷基时，不适用。本文提供了含有Benzanilides的杀虫剂。