1-(1-methyl-1H-pyrrol-3-yl)-2,2-dimethyl-1-propanone | 108213-04-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1-methyl-1H-pyrrol-3-yl)-2,2-dimethyl-1-propanone
• 英文别名: 2,2-Dimethyl-1-(1-methyl-1H-pyrrol-3-yl)propan-1-one；2,2-dimethyl-1-(1-methylpyrrol-3-yl)propan-1-one
• CAS: 108213-04-3
• 化学式: C₁₀H₁₅NO
• 分子量: 165.235
• InChiKey: GVHREJFUXNOOOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(1-methyl-1H-pyrrol-3-yl)-2,2-dimethyl-1-propanone 生成 1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis(2,2-dimethyl-1-propanone)
  参考文献：
  名称：

  HARSANYI, M. C.;NORRIS, R. K., J. ORG. CHEM., 52,(1987) N 11, 2209-2213

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(1-methyl-1H-pyrrol-2-yl)-2,2-dimethyl-1-propanone 生成 1-(1-methyl-1H-pyrrol-3-yl)-2,2-dimethyl-1-propanone
  参考文献：
  名称：

  HARSANYI, M. C.;NORRIS, R. K., J. ORG. CHEM., 52,(1987) N 11, 2209-2213

  摘要：

  DOI：

文献信息

• Methods and compositions for inhibition of Ras
  申请人：ARAXES PHARMA LLC

  公开号：US10011600B2

  公开（公告）日：2018-07-03

  Inhibitors of Ras protein, methods to modulate the activity of Ras protein, and methods of treatment of disorders mediated by Ras protein are provided. A method for regulating activity of a K-Ras, H-Ras or N-Ras mutant protein with a compound is described. Disorders that can be treated include cancer, such as hematological cancer, pancreatic cancer, MYH associated polyposis, colorectal cancer, or lung cancer.

  提供了 Ras 蛋白的抑制剂、调节 Ras 蛋白活性的方法以及治疗由 Ras 蛋白介导的疾病的方法。描述了一种用化合物调节 K-Ras、H-Ras 或 N-Ras 突变蛋白活性的方法。可治疗的疾病包括癌症，如血癌、胰腺癌、MYH 相关性息肉病、结直肠癌或肺癌。
• Palau’chlor: A Practical and Reactive Chlorinating Reagent
  作者：Rodrigo A. Rodriguez、Chung-Mao Pan、Yuki Yabe、Yu Kawamata、Martin D. Eastgate、Phil S. Baran

  DOI：10.1021/ja5031744

  日期：2014.5.14

  Unlike its other halogen atom siblings, the utility of chlorinated arenes and (hetero)arenes are twofold: they are useful in tuning electronic structure as well as acting as points for diversification via cross-coupling. Herein we report the invention of a new guanidine-based chlorinating reagent, CBMG or "Palau'chlor", inspired by a key chlorospirocyclization en route to pyrrole imidazole alkaloids. This direct, mild, operationally simple, and safe chlorinating method is compatible with a range of nitrogen-containing heterocycles as well as select classes of arenes, conjugated pi-systems, sulfonamides, and silyl enol ethers. Comparisons with other known chlorinating reagents revealed CBMG to be the premier reagent.
• Enantioselective Friedel–Crafts Reaction of Acylpyrroles with Glyoxylates Catalyzed by BINOL–Ti(IV) Complexes
  作者：Jakub Majer、Piotr Kwiatkowski、Janusz Jurczak

  DOI：10.1021/ol202244u

  日期：2011.11.18

  We report the first efficient enantioselective Friedel-Crafts hydroxyalkylation of pyrroles having one electron-withdrawing group at the alpha, beta or N-positions with alkyl glyoxylates catalyzed by readily available chiral BINOL-Ti(IV) complexes (1-5 mol %). The reaction regioselectively led to the desired pyrrole-hydroxyacetic acid derivatives with good yields (70-96%) and enantiomeric excesses up to 96%, and is applicable in multigram scale with low loading of the catalyst (1 mol %).
• Pentaatomic heteroaromatic cations. 18. Acylation of pyrrole and N-methylpyrrole with 1,3-benzoxathiolium tetrafluoroborates. A high-yield method for the synthesis of diacylpyrroles
  作者：Margherita Barbero、Silvano Cadamuro、Iacopo Degani、Rita Fochi、Antonella Gatti、Valeria Regondi

  DOI：10.1021/jo00245a022

  日期：1988.5
• Pivaloylation of N-methylpyrrole. Formation of a novel 3,4-diacylation product
  作者：Michael C. Harsanyi、Robert K. Norris

  DOI：10.1021/jo00387a018

  日期：1987.5