4-iodo-N-isopropylaniline | 76465-03-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-iodo-N-isopropylaniline
• 英文别名: N-isopropyl-p-iodoaniline；(4-Iodophenyl)-isopropylamine；4-iodo-N-propan-2-ylaniline
• CAS: 76465-03-7
• 化学式: C₉H₁₂IN
• mdl: MFCD10690908
• 分子量: 261.105
• InChiKey: TWUIDGQZCXHBJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-乙炔基噻吩 、 4-iodo-N-isopropylaniline 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 反应 12.0h， 以81%的产率得到N-isopropyl-N-4-[4-(thien-3-ylethynyl)phenyl]amine
  参考文献：
  名称：

  Covalent Attachment of a Transition Metal Coordination Complex to Functionalized Oligo(phenylene-ethynylene) Self-Assembled Monolayers

  摘要：

  We have investigated the reaction of tetrakis(dimethylamido)titanium, Ti[N(CH3)(2)](4), with N-isopropyl-N-[4-(thien-3-ylethynyl) phenyl] amine and N-isopropyl-N-(4-{[4-(thien-3-ylethynyl) phenyl]ethynyl}-phenyl) amine self-assembled monolayers (SAMS), on polycrystalline Au substrates. The structure of the SAMS themselves has also been investigated. Both molecules form SAMS on polycrystalline Au bound by the thiophene group. The longer-molecular-backbone molecule forms a denser SAM, with molecules characterized by a smaller tilt angle. X-ray photoelectron spectroscopy (XPS) and angle-resolved XPS have been employed to examine the kinetics of adsorption, the spatial extent of reaction, and the stoichiometry of reaction. For both the SAMS, adsorption is described well by first-order Langmuirian kinetics, and adsorption is self-limiting from T-S = -50 to 30 degrees C. The use of angle-resolved XPS clearly demonstrates that the Ti[N(CH3)(2)](4) reacts exclusively with the isopropylamine end group via ligand exchange, and there is no penetration of the SAM, followed by reaction at the SAM-Au interface. Moreover, the SAM molecules remain bound to the Au surface via their thiopene functionalites. From XPS, we have found that, in both cases, approximately one Ti[N(CH3)(2)](4) is adsorbed per two SAM molecules.

  DOI：

  10.1021/ja054378e
• 作为产物：
  描述：

  对碘苯胺 、 Dicaesio carbonate 、 2-碘代丙烷 、 水 在 水 、 Brine 、 silica gel 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以to provide (4-iodophenyl)-isopropylamine (3.26 g, 63%)的产率得到4-iodo-N-isopropylaniline
  参考文献：
  名称：

  Methods for treating hepatitis C

  摘要：

  本发明提供了化合物、制药组合物以及使用这些化合物或组合物治疗病毒感染或影响病毒IRES活性的方法。

  公开号：

  US20070299069A1

文献信息

• REDUCTIVE METHYLATION USING DECABORANE IN METHANOL
  作者：Yeon Joo Jung、Jong Woo Bae、Choon-Ock Maing Yoon、Byung Woo Yoo、Cheol Min Yoon

  DOI：10.1081/scc-100106199

  日期：2001.1

  Amines (primary and secondary) were methylated to the corresponding tertiary amine using 37% formaldehyde and decaborane in methanol at room temperature under nitrogen in high yields.

  使用 37% 甲醛和癸硼烷的甲醇溶液在室温和氮气下以高产率将胺（伯胺和仲胺）甲基化为相应的叔胺。
• METHODS FOR TREATING HEPATITIS C
  申请人：KARP Gary M.

  公开号：US20110268698A1

  公开（公告）日：2011-11-03

  The present invention provides compounds, pharmaceutical compositions, and methods of using such compounds or compositions for treating infection by a virus, or for affecting viral IBES activity.

  本发明提供了化合物、药物组合物以及使用这些化合物或组合物治疗病毒感染或影响病毒IBES活性的方法。
• <scp>Palladium‐Catalyzed</scp> Tandem Cyclization Strategy for the Assembly of <scp>3‐Halo</scp> ‐1,2,5‐triarylpyrroles from <scp> <i>N</i> ‐Alkylanilines </scp> and Haloalkynes
  作者：Songjia Fang、Huanfeng Jiang、Wanqing Wu

  DOI：10.1002/cjoc.202200422

  日期：2023.1.15

  This report discloses a distinctive palladium-catalyzed sequential tandem cyclization reaction of two molecular haloalkynes and one molecular N-alkylanilines, leading to the efficient assembly of various 3-halo-1,2,5-triarylpyrrole derivatives. Two carbon-carbon triple bonds and one carbon-halogen bond in two molecular haloalkynes are transformed conveniently in one single step, which may involve the

  该报告公开了一种独特的钯​​催化的两个分子卤代炔烃和一个分子N -烷基苯胺的顺序串联环化反应，导致各种 3-卤代-1,2,5-三芳基吡咯衍生物的有效组装。两个分子卤代炔烃中的两个碳碳三键和一个碳卤键可以一步方便地转化，这可能涉及卤代炔烃的氨基炔基化和新形成的烯炔中间体的环化。卤代吡咯产品的高化学选择性和区域选择性、良好的官能团耐受性和后期修饰进一步说明了该策略的合成价值。
• Radioiodine containing amines, their preparation and their use as brain imaging agents
  申请人：F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft

  公开号：EP0011858A1

  公开（公告）日：1980-06-11

  Certain radioiodine containing amines useful as brain imaging agents as well as their preparation are disclosed. The compounds of the invention are represented by the formula Wherein I is a radioisotope of iodine with 1-123 being preferred, R is lower alkyl or halogen, R and R2 are the same or different and are selected from the group consisting of hydrogen and lower alkyl, R3 and R4 are the same or different and are selected from the group consisting of hydrogen, alkyl, aryl, substituted aryl, aralkyl, substituted aralkyl and substituted carbamoylmethyl or R3 and R4 taken together with the nitrogen to which they are attached form a 5- or 6-membered ring which may be substituted with one or more lower alkyl groups, x is 0 to 4, y is 0 to 3 and z is 0 or 1, and pharmaceutically acceptable acid addition salts thereof.

  本发明公开了某些可用作脑成像剂的含放射性碘胺及其制备方法。本发明的化合物由式表示 其中，I 是碘的放射性同位素，优选 1-123；R 是低级烷基或卤素；R 和 R2 相同或不同，且选自由氢和低级烷基组成的组；R3 和 R4 相同或不同，且选自由氢、烷基、芳基、取代芳基、芳烷基、取代芳烷基和取代氨基甲酰基组成的组、或 R3 和 R4 与它们所连接的氮一起形成可被一个或多个低级烷基取代的 5 或 6 元环，x 为 0 至 4，y 为 0 至 3，z 为 0 或 1，以及它们的药学上可接受的酸加成盐。
• METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS
  申请人：Indiana University Research and Technology Corporation

  公开号：US20180071252A1

  公开（公告）日：2018-03-15

  Methods are disclosed herein for administering a oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitor for treating autoimmune and/or glomerulonephritis-associated diseases, and in particular, Systemic Lupus Erythematosus (SLE).