tert-butyl-m-tolylamine | 10250-14-3

• 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: tert-butyl-m-tolylamine
• 英文别名: N-tert-Butyl-m-toluidin；N-tert-butyl-3-methylaniline
• CAS: 10250-14-3
• 化学式: C₁₁H₁₇N
• mdl: MFCD22123461
• 分子量: 163.263
• InChiKey: HSWVXQUVZGSPNW-UHFFFAOYSA-N

物化性质

• 沸点：
  248.2±9.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)

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

• 作为产物：
  描述：

  叔丁基三氯乙酰亚胺酯 、 3-甲基苯胺 在 copper(II) bis(trifluoromethanesulfonate) 作用下， 以 硝基甲烷 为溶剂， 反应 2.0h， 以83%的产率得到tert-butyl-m-tolylamine
  参考文献：
  名称：

  使用 2,2,2-三氯乙酰亚胺叔丁基酯在温和条件下铜催化芳香胺的 N-叔丁基化

  摘要：

  已经发现，在室温下，在 2,2,2-三氯亚胺酸叔丁酯存在下，多种芳香胺可以方便地进行铜催化的 N-叔丁基化反应。

  DOI：

  10.1055/s-0033-1339107

文献信息

• TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20180125821A1

  公开（公告）日：2018-05-10

  The present disclosure relates to bifunctional compounds, which find utility as modulators of tau protein. In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a VHL or cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds tau protein, such that tau protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of tau. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of tau protein. Diseases or disorders that result from aggregation or accumulation of tau protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• Photochemical reactions of substituted benzenes with aliphatic amines
  作者：Andrew Gilbert、Stefan Krestonosich、David L. Westover

  DOI：10.1039/p19810000295

  日期：——

  described. Reaction pathways involving both substitution and 1,2-and 1,4-acyclic addition processes are observed and which predominates depends upon the arene substituent. The novel acyclic adduct, Me2 CCH–CHCH–CHNBut, is obtained from toluene and t-butylamine and, contrary to previous reports, chlorobenzene yields arene-amine 1 : 1 adducts as well as the amine α-substitution product (16); benzonitrile

  从二乙胺和叔丁胺的照射用甲苯，氯苯，茴香醚，苯腈，苄基二氟乙烯，三氟甲苯（α，α，α-三氟甲苯），所产生的产品米-fluorobenzotrifluoride（α，α，α，米-tetrafluorotoluene），p -fluorotoluene，米-fluorotoluene，p -fluoroanisole，米-fluoroanisole，和1,3-双（三氟甲基）苯，并用甲苯，三氟甲苯，1,3-双（三氟甲基）苯的三乙胺，所有在254nm，被描述。观察到涉及取代以及1,2-和1,4-无环加成过程的反应途径，并且主要取决于芳烃取代基。新型无环加合物Me 2 CCH-CH CH-CH NBu t是从甲苯和叔丁胺获得的，与以前的报道相反，氯苯可生成芳烃-胺1：1加合物以及胺α-取代产物（16）；苄腈与苯胺和仲胺一起生成苯胺衍生物。
• POTASSIUM CHANNEL MODULATORS
  申请人：Cadent Therapeutics, Inc.

  公开号：US20170355708A1

  公开（公告）日：2017-12-14

  Provided are novel compounds of Formula (I): and pharmaceutically acceptable salts thereof, which are useful for treating a variety of diseases, disorders or conditions, associated with potassium channels. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I), pharmaceutically acceptable salts thereof, and methods for their use in treating one or more diseases, disorders or conditions, associated with potassium channels.

  提供的是公式(I)的新颖化合物： 以及它们的药用可接受盐，这些化合物用于治疗与钾通道相关的一系列疾病、障碍或状况。还提供了包含公式(I)的新颖化合物的药物组合物，它们的药用可接受盐，以及使用它们来治疗与钾通道相关的一种或多种疾病、障碍或状况的方法。
• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。

表征谱图