(4-methoxy-3-methylphenyl)(pyrrolidin-1-yl)methanone | 931793-09-8

• 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: (4-methoxy-3-methylphenyl)(pyrrolidin-1-yl)methanone
• 英文别名: (4-methoxy-3-methylphenyl)-pyrrolidin-1-ylmethanone
• CAS: 931793-09-8
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: CVSCAGVXTIFDGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-methoxy-3-methylphenyl)(pyrrolidin-1-yl)methanone 在 gold(III) chloride 、 碘苯二乙酸 作用下， 以 溶剂黄146 为溶剂， 以60%的产率得到(6,6'-Dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(pyrrolidin-1-ylmethanone)
  参考文献：
  名称：

  2,2'-双酚中未应变的C（芳基）–C（芳基）键的催化活化

  摘要：

  过渡金属催化已成为C–C活化的重要手段，可以进行温和的选择性转化。但是，当前可以激活的C–C键的范围主要限于高应变系统或极性更大的C–C键。相比之下，非极性和未应变的C–C部分的催化活化仍未解决。在这里，我们报告了一种催化方法，用于催化2,2'-双酚中未应变的C（芳基）–C（芳基）键的活化。关键是利用苯酚部分作为手柄来安装次膦酸酯作为可循环的导向基团。使用氢气作为还原剂，可以获得具有低催化剂负载量和高官能团耐受性的单酚。该方法也适用于2,3,4-三取代的苯酚的合成。i）一氢化物种类。最后，说明了在木质素模型中破坏惰性双酚部分的初步研究。

  DOI：

  10.1038/s41557-018-0157-x
• 作为产物：
  描述：

  四氢吡咯 、 4-甲氧基-3-甲基苯甲酸 在 N-甲基吗啉 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以95%的产率得到(4-methoxy-3-methylphenyl)(pyrrolidin-1-yl)methanone
  参考文献：
  名称：

  High-Load, Hybrid Si-ROMP Reagents

  摘要：

  The combination of norbornenyl-tagged (Nb-tagged) silica particles and functionalized Nb-tagged monomers for the generation of hybrid Si-ROMP reagents and scavengers is reported. Specifically Si-ROMP-derived bis-acid chloride, dichlorotriazine, and triphenylphosphine scavenger/reagents have been grafted from the surface of silica particles utilizing surface-initiated, ring-opening metathesis polymerization (ROMP). These hybrid polymeric materials combine the physical properties of current immobilized silica reagents and represent a key advancement in load by merging the inherent tunable properties of the ROMP-derived oligomers with silica supports for application in a parallel synthesis.

  DOI：

  10.1021/ol102239h

文献信息

• [EN] SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN<br/>[FR] PYRROLOPYRIDINES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE BROMODOMAINES
  申请人：GENENTECH INC

  公开号：WO2016077378A1

  公开（公告）日：2016-05-19

  The present invention relates to compounds of formula (I) and to salts thereof, wherein R1, R2, and Q have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中R1、R2和Q具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作溴结构域的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种溴结构域介导的疾病中使用这些化合物和盐的方法。
• SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN
  申请人：Genentech, Inc.

  公开号：EP3218375B1

  公开（公告）日：2022-04-27
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20170340605A1

  公开（公告）日：2017-11-30

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R 1 , R 2 , and Q have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.
• US9029457B2
  申请人：——

  公开号：US9029457B2

  公开（公告）日：2015-05-12
• High-Load, Hybrid Si-ROMP Reagents
  作者：Alan Rolfe、Joanna K. Loh、Pradip K. Maity、Paul R. Hanson

  DOI：10.1021/ol102239h

  日期：2011.1.7

  The combination of norbornenyl-tagged (Nb-tagged) silica particles and functionalized Nb-tagged monomers for the generation of hybrid Si-ROMP reagents and scavengers is reported. Specifically Si-ROMP-derived bis-acid chloride, dichlorotriazine, and triphenylphosphine scavenger/reagents have been grafted from the surface of silica particles utilizing surface-initiated, ring-opening metathesis polymerization (ROMP). These hybrid polymeric materials combine the physical properties of current immobilized silica reagents and represent a key advancement in load by merging the inherent tunable properties of the ROMP-derived oligomers with silica supports for application in a parallel synthesis.