1-(3-chloro-4-methylphenyl)pyrrolidin-2-one | 2996-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(3-chloro-4-methylphenyl)pyrrolidin-2-one
• 英文别名: N-(3-Chlor-4-methyl-phenyl)-pyrrolidon-(2)；1-(3-Chloro-4-methylphenyl)-2-pyrrolidinone
• CAS: 2996-76-1
• 化学式: C₁₁H₁₂ClNO
• mdl: MFCD00694762
• 分子量: 209.675
• InChiKey: HXGLUXVMOYVEBB-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 沸点：
  429.8±38.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-吡咯烷酮 、 4-溴-2-氯甲苯 在 potassium phosphate 、 methanesulfonato(2-dicyclohexylphosphino-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II) 作用下， 以 1,4-二氧六环 、 水 为溶剂， 150.0 ℃ 、1.38 MPa 条件下， 反应 0.25h， 以75%的产率得到1-(3-chloro-4-methylphenyl)pyrrolidin-2-one
  参考文献：
  名称：

  Modular Continuous Flow Synthesis of Imatinib and Analogues

  摘要：

  A modular continuous flow synthesis of imatinib and analogues is reported. Structural y diverse imatinib analogues are rapidly generated using three readily available building blocks via a flow hydration/chemoselective C-N coupling sequence. The newly developed continuous flow hydration and amidation modules each exhibit a broad scope with good to excellent yields. Overall, the method described does not require solvent switches, in-line purifications, or packed-bed apparatuses due to the judicious manipulation of flow setups and solvent mixtures.

  DOI：

  10.1021/acs.orglett.9b02259

文献信息

• SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES
  申请人：Syngenta Limited

  公开号：EP1119547A1

  公开（公告）日：2001-08-01
• [EN] SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES<br/>[FR] PYRROLIDINONE, THIAZOLIDINONE OU OXAZOLIDINONE SUBSTITUEE UTILISEE EN TANT QU'HERBICIDES
  申请人：ZENECA LTD

  公开号：WO2000021928A1

  公开（公告）日：2000-04-20

  A compound of general formula (I) wherein Y is O, S or CH2; R1 is an optionally substituted aryl or heteroaromatic ring, wherein the optional substituents are selected from halogen, C¿1?-C4 alkyl, C1-C4 haloalkyl, C1-C4 alkoxy or C1-C4 haloalkoxy; R?2 and R3¿ are independently selected from hydrogen or halogen; and R?4 and R5¿ are independently selected from halogen. The compounds are useful as herbicides.
• Modular Continuous Flow Synthesis of Imatinib and Analogues
  作者：Wai Chung Fu、Timothy F. Jamison

  DOI：10.1021/acs.orglett.9b02259

  日期：2019.8.2

  A modular continuous flow synthesis of imatinib and analogues is reported. Structural y diverse imatinib analogues are rapidly generated using three readily available building blocks via a flow hydration/chemoselective C-N coupling sequence. The newly developed continuous flow hydration and amidation modules each exhibit a broad scope with good to excellent yields. Overall, the method described does not require solvent switches, in-line purifications, or packed-bed apparatuses due to the judicious manipulation of flow setups and solvent mixtures.