2-Chloro-1-(5-morpholin-4-ylthiophen-2-yl)ethanone | 373602-88-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Chloro-1-(5-morpholin-4-ylthiophen-2-yl)ethanone
• CAS: 373602-88-1
• 化学式: C₁₀H₁₂ClNO₂S
• 分子量: 245.73
• InChiKey: YHRGJMVSWBRJTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Chloro-1-(5-morpholin-4-ylthiophen-2-yl)ethanone 在 正丁基锂 、 三乙胺 作用下， 以 1,4-二氧六环 、 正己烷 、 乙腈 为溶剂， 反应 8.0h， 生成 4-[5-[(2-Morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]thiophen-2-yl]morpholine;perchlorate
  参考文献：
  名称：

  Synthesis and Spectral Characterization of a New Class of Heterocyclic Analogues of Crystal Violet Dyes

  摘要：

  Deep purple: By the transformation of readily available N,N-disubstituted 2-aminothiophenes and 2-aminothiazoles into heterocyclic analogues of Crystal Violet, such as, tris(2-dimethylamino-5-thienyl)methinium prechlorate (cation shown), the series of dyes derived from these heterocyclic structural units as the important chromophoric component is significantly extended and a gap in the class of heteroanalogous triphenylmethane dyes has been closed.

  DOI：

  10.1002/1521-3773(20010817)40:16<3008::aid-anie3008>3.0.co;2-0
• 作为产物：
  描述：

  1,3-二氯丙酮 、 4-[3-(N,N-dimethylamino)-2-propene-1-thione]morpholine 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.08h， 以23%的产率得到2-Chloro-1-(5-morpholin-4-ylthiophen-2-yl)ethanone
  参考文献：
  名称：

  Synthesis and characterisation of N,N-disubstituted 2-amino-5-acylthiophenes and 2-amino-5-acylthiazoles

  摘要：

  Starting from halomethyl-ketones 8 and N,N'-persubstituted thioacrylamides 7 or their 2-aza analogues 11 a series of N,N-disubstituted 2-amino-5-acylthiophenes 10 and 2-amino-5-acylthiazoles 12, respectively are available. By starting from 1,3-dichloroacetone and using the same thioacrylamide derivatives 7 and 11 N,N-disubstituted 2-amino-5-(chloroacetyl)thiophenes 13 and 2-amino-5-(chloroacetyl)thiazoles 14 as well as N,N'-persubstituted bis-(2-amino-5-thienyl)ketones 15, 2-amino-5-thienyl-(2-amino-5-thiazolyl)ketones 16, and bis-(2-amino-5-thiazolyl)ketones 17, respectively are available. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00083-2

文献信息

• Synthesis and characterisation of N,N-disubstituted 2-amino-5-acylthiophenes and 2-amino-5-acylthiazoles
  作者：Antje Noack、Horst Hartmann

  DOI：10.1016/s0040-4020(02)00083-2

  日期：2002.3

  Starting from halomethyl-ketones 8 and N,N'-persubstituted thioacrylamides 7 or their 2-aza analogues 11 a series of N,N-disubstituted 2-amino-5-acylthiophenes 10 and 2-amino-5-acylthiazoles 12, respectively are available. By starting from 1,3-dichloroacetone and using the same thioacrylamide derivatives 7 and 11 N,N-disubstituted 2-amino-5-(chloroacetyl)thiophenes 13 and 2-amino-5-(chloroacetyl)thiazoles 14 as well as N,N'-persubstituted bis-(2-amino-5-thienyl)ketones 15, 2-amino-5-thienyl-(2-amino-5-thiazolyl)ketones 16, and bis-(2-amino-5-thiazolyl)ketones 17, respectively are available. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Synthesis and Spectral Characterization of a New Class of Heterocyclic Analogues of Crystal Violet Dyes
  作者：Antje Noack、Anke Schröder、Horst Hartmann

  DOI：10.1002/1521-3773(20010817)40:16<3008::aid-anie3008>3.0.co;2-0

  日期：2001.8.17

  Deep purple: By the transformation of readily available N,N-disubstituted 2-aminothiophenes and 2-aminothiazoles into heterocyclic analogues of Crystal Violet, such as, tris(2-dimethylamino-5-thienyl)methinium prechlorate (cation shown), the series of dyes derived from these heterocyclic structural units as the important chromophoric component is significantly extended and a gap in the class of heteroanalogous triphenylmethane dyes has been closed.