N-tert-butyl-1-methylpyrrole-2-carboxamide | 98331-17-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-tert-butyl-1-methylpyrrole-2-carboxamide
• 英文别名: N-(tert-Butyl)-1-methyl-1H-pyrrole-2-carboxamide
• CAS: 98331-17-0
• 化学式: C₁₀H₁₆N₂O
• mdl: MFCD21101466
• 分子量: 180.25
• InChiKey: PAEPCNROLWHWAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 以85%的产率得到N-tert-butyl-1-methylpyrrole-2-carboxamide
  参考文献：
  名称：

  Convenient access to isoindolinones via carbamoyl radical cyclization. Synthesis of cichorine and 4-hydroxyisoindolin-1-one natural products

  摘要：

  An efficient and convenient access to 2-tert-butylisoindolin-1-ones via an oxidative radical cyclization process from stable carbamoylxanthates, derived from secondary tert-butylamines, is described. The proposed mechanism for this transformation involves, the generation of a carbamoyl radical, its cyclization to the aromatic system, and the dilauroyl peroxide (DLP) mediated rearomatization to generate the isoindolinone ring system. Additionally, the syntheses of cichorine and 4-hydroxyisoindolin-1-one natural products were carried out to underscore the synthetic potential of this xanthate-based carbamoyl radical-oxidative cyclization. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.003

文献信息

• Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors
  申请人：Nakajima Suanne

  公开号：US20070060510A1

  公开（公告）日：2007-03-15

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐、酯或前药，其抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗丙型肝炎病毒感染的患者。本发明还涉及通过给予本发明化合物的制药组合物来治疗患有丙型肝炎病毒感染的患者的方法。
• The scope and limitations of carboxamide-induced .beta.-directed metalation of 2-substituted furan, thiophene, and 1-methylpyrrole derivatives. Application of the method to syntheses of 2,3-disubstituted thiophenes and furans
  作者：Andrew J. Carpenter、Derek J. Chadwick

  DOI：10.1021/jo00222a032

  日期：1985.11
• CARPENTER, A. J.;CHADWICK, D. J., J. ORG. CHEM., 1985, 50, N 22, 4362-4368
  作者：CARPENTER, A. J.、CHADWICK, D. J.

  DOI：——

  日期：——
• US7176208B2
  申请人：——

  公开号：US7176208B2

  公开（公告）日：2007-02-13
• US7368452B2
  申请人：——

  公开号：US7368452B2

  公开（公告）日：2008-05-06