3-叔丁基-N-甲基苯胺 | 1233505-67-3

• 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: 3-叔丁基-N-甲基苯胺
• 英文名称: 3-t-butyl-N-methylaniline
• 英文别名: 3-(tert-butyl)-N-methylaniline；N-methyl-3-(tert-butyl)aniline；3-tert-Butyl-N-methylaniline
• CAS: 1233505-67-3
• 化学式: C₁₁H₁₇N
• mdl: MFCD11655727
• 分子量: 163.263
• InChiKey: RNFOZBRTSAIWFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 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-叔丁基-N-甲基苯胺 、 2,3-二氧代-1,2,3,4-四氢喹噁啉-6-磺酰氯 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以58%的产率得到N-(3-t-butylphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide
  参考文献：
  名称：

  Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis

  摘要：

  A two-drug combination therapy where one drug targets an offending cell and the other targets a resistance mechanism to the first drug is a time-tested, yet underexploited approach to combat or prevent drug resistance. By high-throughput screening, we identified a sulfonamide scaffold that served as a pharmacophore to generate inhibitors of Mycobacterium tuberculosis acetyltransferase Eis, whose upregulation causes resistance to the aminoglycoside (AG) antibiotic kanamycin A (KAN) in Mycobacterium tuberculosis. Rational systematic derivatization of this scaffold to maximize Eis inhibition and abolish the Eis-mediated KAN resistance of M. tuberculosis yielded several highly potent agents. A crystal structure of Eis in complex with one of the most potent inhibitors revealed that the inhibitor bound Eis in the AG-binding pocket held by a conformationally malleable region of Eis (residues 28-37) bearing key hydrophobic residues. These Eis inhibitors are promising leads for preclinical development of innovative AG combination therapies against resistant TB.

  DOI：

  10.1021/acs.jmedchem.6b01161
• 作为产物：
  描述：

  3-叔丁基苯胺 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-叔丁基-N-甲基苯胺
  参考文献：
  名称：

  发光铂（II）配合物对烯烃的光诱导氢芳基化和环化反应

  摘要：

  烯烃的光诱导加氢芳基化是芳烃官能化的一种有吸引力的合成策略。在此，我们证明了在可见光下，[Pt（O ^ N ^ C ^ N）]存在下，电子不足的芳基氯化物/溴化物产生的芳基自由基可能被一系列末端/内部芳基烯烃捕获（410）。纳米）辐射，以高达95％的收率提供抗马氏化学水解的化合物。此外，还开发了一种用于[Pt（O ^ N ^ C ^ N）]催化的丙烯酰胺分子内光环化反应的化合物，以提供结构多样的3,4-二氢喹啉酮。

  DOI：

  10.1002/anie.202011841

文献信息

• MODULATORS OF THE RELAXIN RECEPTOR 1
  申请人：The United States of America, as Represented by the Secretary, Dept. of Health & Human Services

  公开号：US20150119426A1

  公开（公告）日：2015-04-30

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R 1 , and R 2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。
• Manganese-Catalyzed One-Pot Conversion of Nitroarenes into <i>N</i> -Methylarylamines Using Methanol
  作者：Benjamin G. Reed-Berendt、Nicolas Mast、Louis C. Morrill

  DOI：10.1002/ejoc.201901854

  日期：2020.3.8

  A manganese‐catalyzed one‐pot conversion of nitroarenes into N‐methylarylamines has been developed. This transfer hydrogenation method employs a well‐defined bench stable Mn PN3P pincer precatalyst in combination with methanol as both the reductant and the C1 source. A selection of commercially available nitroarenes was converted into N‐methylarylamines in synthetically useful yields.

  已经开发出锰催化硝基芳烃一锅法转化为 N-甲基芳胺的方法。这种转移氢化方法采用了一种明确的工作台稳定的 Mn PN3P 钳形预催化剂，结合甲醇作为还原剂和 C1 源。精选的市售硝基芳烃以合成有用的产率转化为 N-甲基芳胺。
• Design, Synthesis, and Antifungal Evaluation of Cryptolepine Derivatives against Phytopathogenic Fungi
  作者：Yong-Jia Chen、Hua Liu、Shao-Yong Zhang、Hu Li、Kun-Yuan Ma、Ying-Qian Liu、Xiao-Dan Yin、Rui Zhou、Yin-Fang Yan、Ren-Xuan Wang、Ying-Hui He、Qing-Ru Chu、Chen Tang

  DOI：10.1021/acs.jafc.0c06480

  日期：2021.2.3

  great fungicidal property against B. cinerea (EC50 < 4 μg/mL); especially, a3 presented significantly prominent inhibitory activity with an EC50 of 0.027 μg/mL. In the pursuit of further expanding the antifungal spectrum of cryptolepine, ring-opened compound f1 produced better activity with an EC50 of 3.632 μg/mL against R. solani and an EC50 of 5.599 μg/mL against F. graminearum. Furthermore, a3 was selected

  受天然来源的多种衍生物的广泛抗植物病原学应用的启发，随后设计，合成并评价了隐山平及其衍生物对四种农业重要真菌solani Rhizoctonia solani，Botrytis cinerea，Fusarium graminearum和Sclerotiorum sclerotiorum的抗真菌活性。体外测定结果表明，化合物a1-a24对灰葡萄孢具有很好的杀菌作用（EC 50 <4μg/ mL）。特别是a3的EC 50表现出明显的抑制活性0.027μg/ mL。在追求进一步扩大cryptolepine的抗真菌谱，开环化合物F1产生更好的活性与EC 50的3.632微克/毫升抗水稻纹枯病菌和EC 50 5.599微克/毫升的抗禾谷镰孢。此外，选择a3作为研究其对灰葡萄孢菌的初步抗真菌机制的候选者，这表明不仅有效抑制了孢子萌发，严重破坏了菌丝体的正常生理结构，而且明显地积累了有害的活性氧，并且正
• C5AR ANTAGONISTS
  申请人：CHEMOCENTRYX, INC.

  公开号：US20170114017A1

  公开（公告）日：2017-04-27

  Compounds are provided that are modulators of the C5a receptor. The compounds are substituted piperidines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activation of C5a receptors.

  提供了一些能够调节C5a受体的化合物。这些化合物是取代的哌啶类化合物，并且可用于制药组合物、治疗涉及C5a受体病理激活的疾病和疾病的方法。
• BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS
  申请人：Zhang Chengzhi

  公开号：US20090023783A1

  公开（公告）日：2009-01-22

  The invention relates to novel benzofuran derivatives, processes for their preparation and their use for preparing medicaments for the treatment or prophylaxis of disorders, especially of hyperproliferative disorders

  本发明涉及新型苯并呋喃衍生物，其制备过程以及用于制备治疗或预防疾病的药物，特别是用于治疗高增生性疾病的药物。