tert-butyl 2-iodo-5-nitrobenzoate | 250684-62-9

• 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: tert-butyl 2-iodo-5-nitrobenzoate
• CAS: 250684-62-9
• 化学式: C₁₁H₁₂INO₄
• 分子量: 349.125
• InChiKey: MOLBFHCLDZZUMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-iodo-5-nitrobenzoate 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 三苯胂 cerium(III) chloride 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis of new crosslinkable co-polymers containing a push–pull zinc porphyrin for non-linear optical applications

  摘要：

  In this paper, the synthesis of a crosslinkable co-polymer containing new push-pull arylethynyl zinc porphyrins is described. The synthesis of porphyrin chromophores, analogous to Therien's porphyrin functionalized with a methacrylic polymerizable group and a carboxylic acid crosslinking group was achieved with a new synthetic procedure leading to a higher overall yield compared to what was previously reported in the literature for similar and simpler structures. Radical copolymerization of the porphyrin chromophore with glycidyl methacrylate has then been carried out with success. This work opens a perspective on the possibility to integrate porphyrinic chromophore with high first-order molecular quadratic hyperpolarizability coefficient in opto-electronic devices. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.07.094
• 作为产物：
  描述：

  2-碘苯甲酸 在 4-二甲氨基吡啶 、 硫酸 、 硝酸 作用下， 以 叔丁醇 为溶剂， 反应 5.5h， 生成 tert-butyl 2-iodo-5-nitrobenzoate
  参考文献：
  名称：

  使用固相高价碘催化剂连续流动氧化醇

  摘要：

  发现一种可持续的固相催化剂，用于在连续流动中快速有效地将各种醇氧化为其相应的羰基化合物！新方法能够成功氧化各种醇，包括以前不反应的伯醇，并具有最小的催化剂负载量和快速的产品可获取性。

  DOI：

  10.1002/chem.202304011

文献信息

• Oxidation of secondary alcohols using solid-supported hypervalent iodine catalysts
  作者：Frederic Ballaschk、Stefan F. Kirsch

  DOI：10.1039/c9gc02605c

  日期：——

  It is shown how secondary alcohols are oxidized to provide the corresponding ketones by use of Oxone® and solid-supported hypervalent iodine catalysts. Under experimentally simple conditions with acetonitrile at elevated temperatures, excellent conversions were achieved with low catalyst loadings (0.2–5 mol%) when employing the conjugates 5 and 6 derived from IBX and IBS. The catalysts are broadly

  它显示了如何通过使用Oxone®和固体负载的高价碘催化剂将仲醇氧化成相应的酮。在高温下用乙腈进行简单的实验条件下，当使用衍生自IBX和IBS的共轭物5和6时，在低催化剂负载量（0.2-5 mol％）下可实现出色的转化率。该催化剂广泛适用于多种醇底物。关于可持续性问题，最重要的是，无金属催化剂很容易通过过滤从反应混合物中除去，并且它们可以在氧化过程中重复使用多次，而不会损失催化活性。
• Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient
  申请人：——

  公开号：US20040002493A1

  公开（公告）日：2004-01-01

  A pharmaceutical composition, which comprises a benzoic acid derivative of formula (I) 1 wherein R 1 is COOH, COOR 6 etc.; A, B is carbocyclic ring or heterocyclic ring; R 2 is alkyl, alkenyl, alkynyl etc.; R 4 is alkyl, cycloalkyl etc.; R 5 is carbocyclic ring or heterocyclic ring; or non-toxic salts thereof. The compound of the formula (I) can bind to Prostaglandin E 2 receptors, especially, EP 3 receptor and/or EP 4 receptor and show the antagonizing activity, and useful for the prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer.

  一种药物组合物，包括化学式(I)1中的苯甲酸衍生物，其中R1为COOH，COOR6等；A、B为碳环或杂环；R2为烷基、烯基、炔基等；R4为烷基、环烷基等；R5为碳环或杂环；或其非毒性盐。化合物的化学式(I)可以与前列腺素E2受体结合，特别是EP3受体和/或EP4受体，并显示拮抗活性，对于预防和/或治疗疾病，例如疼痛、过敏、阿尔茨海默病、癌症等具有用处。
• BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1314719A1

  公开（公告）日：2003-05-28

  A pharmaceutical composition, which comprises a benzoic acid derivative of formula (I) wherein R1 is COOH, COOR6 etc.; A, B is carbocyclic ring or heterocyclic ring; R2 is alkyl, alkenyl, alkynyl etc.; R4 is alkyl, cycloalkyl etc.; R5 is carbocyclic ring or heterocyclic ring; or non-toxic salts thereof. The compound of the formula (I) can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show the antagonizing activity, and useful for the prevention and/or treatment of disease, for example, pain, allergy, Alzheimer' s disease, cancer.

  一种药物组合物，它包括式 (I) 的苯甲酸衍生物 其中 R1 是 COOH、COOR6 等；A、B 是碳环或杂环；R2 是烷基、烯基、炔基等；R4 是烷基、环烷基等；R5 是碳环或杂环； 或其无毒盐。 式（I）化合物可与前列腺素 E2 受体，特别是 EP3 受体和/或 EP4 受体结合，显示出拮抗活性，可用于预防和/或治疗疾病，例如疼痛、过敏、老年痴呆症、癌症。
• α,α-Difluorophosphonomethyl azobenzene derivatives as photo-regulated phosphoamino acid analogs. 1. Design and synthesis
  作者：Seung Bum Park、Robert F. Standaert

  DOI：10.1016/s0040-4039(99)01400-8

  日期：1999.9

  A series of novel, photoregulated phosphoamino acid analogs based on an azobenzene core bearing an alpha,alpha-difluoromethylphosphonate as a hydrolytically stable phosphate isostere have been prepared with N-Fmoc protection for use in peptide synthesis. Classes of reagents analogous to both phosphotyrosine and phosphoserine/threonine were prepared by a common route employing a nitrosoarene/aniline condensation to form the azo linkage and the Cu(I)promoted coupling of an iodoarene with (diethylphosphono)difluoromethyl cadmium bromide (Burton's method) to introduce the phosphonate moiety. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Synthesis of new crosslinkable co-polymers containing a push–pull zinc porphyrin for non-linear optical applications
  作者：Cyrille Monnereau、Errol Blart、Véronique Montembault、Laurent Fontaine、Fabrice Odobel

  DOI：10.1016/j.tet.2005.07.094

  日期：2005.10

  In this paper, the synthesis of a crosslinkable co-polymer containing new push-pull arylethynyl zinc porphyrins is described. The synthesis of porphyrin chromophores, analogous to Therien's porphyrin functionalized with a methacrylic polymerizable group and a carboxylic acid crosslinking group was achieved with a new synthetic procedure leading to a higher overall yield compared to what was previously reported in the literature for similar and simpler structures. Radical copolymerization of the porphyrin chromophore with glycidyl methacrylate has then been carried out with success. This work opens a perspective on the possibility to integrate porphyrinic chromophore with high first-order molecular quadratic hyperpolarizability coefficient in opto-electronic devices. (c) 2005 Elsevier Ltd. All rights reserved.