1-benzyl-4-methylpyrrolidin-2-one | 96240-04-9

• 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: 1-benzyl-4-methylpyrrolidin-2-one
• 英文别名: N-Benzyl-4-methyl-2-pyrrolidone；benzyl-4-methyl-2-pyrrolidinone
• CAS: 96240-04-9
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: CCMHVWWCZGBLDB-UHFFFAOYSA-N

物化性质

• 沸点：
  146 °C(Press: 1.3 Torr)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-benzyl-4-methylpyrrolidin-2-one 在 palladium dihydroxide lithium aluminium tetrahydride 、 氢气 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 39.0h， 生成 3-甲基吡咯烷
  参考文献：
  名称：

  Lin, Tay-yean; Kingsbury, Charles A.; Cromwell, Norman H., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1871 - 1875

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl 4-Benzylamino-3-methylbutanoate Hydrochloride 以76%的产率得到
  参考文献：
  名称：

  LIN, TAY-YEAN;KINGSBURY, CH. A.;CROMWELL, N. H., J. HETEROCYCL. CHEM., 1984, 21, N 6, 1871-1875

  摘要：

  DOI：

文献信息

• Synthesis of substituted γ- and δ-lactams based on titanocene(<scp>iii</scp>)-catalysed radical cyclisations of trichloroacetamides
  作者：Faïza Diaba、Enrique Gómez-Bengoa、Juan M. Cuerva、Josep Bonjoch、José Justicia

  DOI：10.1039/c6ra12180b

  日期：——

  A new procedure for the synthesis of γ- and δ-lactams based on a Cp2TiCl-catalysed cyclisation of trichloroacetamides under mild reaction conditions is reported. Theoretical studies supported the observed regioselectivity in the cyclisations and the mechanism involved in the dehalogenation process.

  报道了在温和的反应条件下基于Cp 2 TiCl催化的三氯乙酰胺环化合成γ-和δ-内酰胺的新方法。理论研究支持在环化反应中观察到的区域选择性以及脱卤过程涉及的机制。
• HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS
  申请人：Takahashi Akira

  公开号：US20120065189A1

  公开（公告）日：2012-03-15

  The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R 1 and R 2 , each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R 3 represents a lower alkynyl group or the like; R 4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.

  本发明提供了一种新型杂环化合物。所述杂环化合物的通式（1）表示，其中，R1和R2各自独立地表示氢；苯基低烷基，其可以在苯环上和/或低烷基上具有选自低烷基等的取代基；或环状C3-C8烷基低烷基；或类似物；R3表示低炔基或类似物；R4表示苯基，其可以具有选自1,3,4-噁二唑基（例如，卤素）或选自吡啶基等杂环基的取代基；所述杂环基可以具有至少一个选自低烷氧基等的取代基或其盐。
• Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US11066417B2

  公开（公告）日：2021-07-20

  Compounds of Formula (I): pharmaceutically acceptable salts thereof, deuterated derivatives of any of the foregoing, and metabolites of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

  式 (I) 的化合物： 公开了前述化合物的药学上可接受的盐、前述化合物的氚代衍生物以及前述化合物的代谢物。还公开了包含上述物质的药物组合物、使用上述物质治疗囊性纤维化的方法以及上述物质的制造方法。
• Ozaki, Shigeko; Matsushita, Hidenori; Ohmori, Hidenobu, Journal of the Chemical Society. Perkin transactions I, 1993, # 19, p. 2339 - 2344
  作者：Ozaki, Shigeko、Matsushita, Hidenori、Ohmori, Hidenobu

  DOI：——

  日期：——
• Synthesis of pyrrolidines and pyrrolidinones by the rhodium complex catalyzed cyclization of unsaturated amines
  作者：Jian Qiang Zhou、Howard Alper

  DOI：10.1021/jo00038a019

  日期：1992.6

  N-Allylic arylamines react with carbon monoxide, sodium borohydride, 2-propanol, and catalytic amounts of the zwitterionic complex eta-6-C6H6BPh3-Rh(COD)+ (1), to form pyrrolidines as the main products in most cases. Pyrrolidinones result from N-allylic alkylamines. An alternate route to the lactams from N-allylic alkylamines involves synthesis gas instead of CO/NaBH4, together with the dual catalytic system 1/[Ru(CO)3Cl2]2. Complementary to the N-allylic arylamine route to pyrrolidines with NaBH4 and 1 is the use of synthesis gas, 1, and 1,4-bis(diphenylphosphino)butane.