3-(1'-吡咯烷基)-2-丁酮 | 97073-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 3-(1'-吡咯烷基)-2-丁酮
• 中文别名: 1H-氮杂卓,六氢-2-(1-萘基甲基)-
• 英文名称: 3-(1'-pyrrolidinyl)-2-butanone
• 英文别名: 3-(1-Pyrrolidinyl)-2-butanone；3-pyrrolidin-1-ylbutan-2-one
• CAS: 97073-15-9
• 化学式: C₈H₁₅NO
• mdl: MFCD12146871
• 分子量: 141.213
• InChiKey: IXYTUYCLJBLYKD-UHFFFAOYSA-N

物化性质

• 保留指数：
  1004.2

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1'-吡咯烷基)-2-丁酮 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 3-pyrrolidino-butan-2-ol
  参考文献：
  名称：

  PYRROLIDYL ALKANOLS

  摘要：

  DOI：

  10.1021/jo01157a020
• 作为产物：
  描述：

  1-(3-丁炔-2-基)吡咯烷 在 硫酸 、 mercury(II) sulfate 作用下， 生成 3-(1'-吡咯烷基)-2-丁酮
  参考文献：
  名称：

  Reppe et al., Justus Liebigs Annalen der Chemie, 1955, vol. 596, p. 65

  摘要：

  DOI：

文献信息

• Cold Menthol Receptor Antagonists
  申请人：Colburn Raymond W.

  公开号：US20100048589A1

  公开（公告）日：2010-02-25

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein A, B, L, Q, R 1 , R 2 , and R 3 are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物由以下的化学式 I 表示：其中 A、B、L、Q、R1、R2 和 R3 在此处定义。
• The Rabe amination after a century: direct addition of N-heterocycles to carbonyl compounds
  作者：Daniele M. Scarpino Schietroma、Mattia R. Monaco、Valerio Bucalossi、Philipp E. Walter、Patrizia Gentili、Marco Bella

  DOI：10.1039/c2ob25595b

  日期：——

  presented. This kind of reaction was originally employed in 1918 in a key step for the conversion of quinotoxine to quinine. Ketones and α-substituted aldehydes give the corresponding α-aminated carbonyl compounds in moderate yield. α,α-Unsubstituted aldehydes give rise to amino ketones via a novel rearrangement.

  提出了Rabe亲电子胺化的催化形式。这种反应最初是在1918年采用的，是转化为喹诺酮 到 奎宁。酮和α-取代的醛以中等收率得到相应的α-胺化的羰基化合物。α，α-未取代的醛通过新颖的重排生成氨基酮。
• Bicyclic pyrimidine derivatives
  申请人：Arai Hitoshi

  公开号：US20070037834A1

  公开（公告）日：2007-02-15

  [wherein m and n may be the same or different and each represents an integer of 1 to 3 wherein m+n is 4 or less; R 1 represents —NR 4 R 5 (wherein R 4 and R 5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl or the like); R 2 represents the above Formula (II), Formula (IV) or the like; A represents a single bond, —C(═O)—, —SO 2 —, —OC(═O)— or the like; and R 3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted aralkyl or the like] Bicyclic pyrimidine derivatives represented by the above Formula (I), or quaternary ammonium salts thereof, or pharmaceutically acceptable salts thereof, or the like, are provided. These have anti-inflammatory activities or modulation activities on the functions of TARC and/or MDC and are useful for treating and/or preventing a disease which is related to T cells, such as an allergic disease, an autoimmune disease or transplant rejection.

  提供上述公式（I）所代表的双环嘧啶衍生物，其中m和n可以相同或不同，每个表示1至3的整数，其中m+n小于等于4；R1表示—NR4R5（其中R4和R5可以相同或不同，每个表示氢原子，取代或未取代的低碳基，取代或未取代的芳基烷基或类似物）；R2表示上述公式（II），公式（IV）或类似物；A表示单键，—C（═O）—，—SO2—，—OC（═O）—或类似物；R3表示取代或未取代的低碳基，取代或未取代的环烷基，取代或未取代的芳基烷基或类似物。还提供了上述公式（I）所代表的四元铵盐或药学上可接受的盐或类似物。这些化合物具有抗炎活性或对TARC和/或MDC功能的调节活性，并且用于治疗和/或预防与T细胞相关的疾病，例如过敏性疾病，自身免疫性疾病或移植排斥。
• Xie, Jian-Hua; Liu, Sheng; Kong, Wei-Ling, Journal of the American Chemical Society, 2009, vol. 131, p. 4222 - 4223
  作者：Xie, Jian-Hua、Liu, Sheng、Kong, Wei-Ling、Bai, Wen-Ju、Wang, Xiao-Chen、et al.

  DOI：——

  日期：——
• Pyrolysis/GC/MS Analysis of 1-[(2'-carboxyl)pyrrolidinyl]-1-deoxy-D-fructose (Proline Amadori Compound)
  作者：Alexis Huyghues-Despointes、Varoujan A. Yaylayan、Anahita Keyhani

  DOI：10.1021/jf00047a027

  日期：1994.11

  Pyrolysis/GC/MS was applied to the study of primary and secondary pyrolysis products of 1-[(2'-carboxy)pyrrolidinyl]-1-deoxy-D-fructose (proline Amadori compound). The Amadori product was pyrolyzed on a ribbon probe at 150, 200, 250, 300, an 350 degrees C for 10 s. The main products formed under these conditions were 1-(1'-pyrrolidinyl)-2-propanone, 2-hydroxy-1-(1'-pyrrolidinyl)-1-buten-3-one, and 2,3-dihydro-3,5-dihydroxy-6-methyl-4(H)-pyran-4-one in addition to acetic acid and pyrrolidine. To produce secondary pyrolysis products, the Amadori compound was pyrolyzed at 250 degrees C in a quartz tube for 20 s; 14 secondary pyrolysis products were identified. The majority of the products were also reported to be formed during autoclaving of proline/monosaccharide mixtures at 150 degrees C for 1.5 h in water. In addition, the pyrolysis of D-glucose/proline and the proline Amadori compound was compared.