1-hydroxy-1-(thiophene-2-yl)propan-2-one | 21160-44-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-hydroxy-1-(thiophene-2-yl)propan-2-one
• 英文别名: 1-hydroxy-1-[2]thienyl-acetone；1-Hydroxy-1-[2]thienyl-aceton；1-Hydroxy-1-thiophen-2-ylpropan-2-one
• CAS: 21160-44-1
• 化学式: C₇H₈O₂S
• 分子量: 156.205
• InChiKey: VETMBNMZGKRGDT-UHFFFAOYSA-N

物化性质

• 沸点：
  270.5±25.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-噻吩基丙酮 在 三苯基膦氢溴酸盐 、 二甲基亚砜 作用下， 反应 3.0h， 以50%的产率得到1-hydroxy-1-(thiophene-2-yl)propan-2-one
  参考文献：
  名称：

  PPh₃·HBr–DMSO: A Reagent System for Diverse Chemoselective Transformations

  摘要：

  The broad applicability of the hitherto unexplored reagent combination PPh3 center dot HBr-DMSO is exemplified with multiple highly diverse one-step transformations to synthetically useful building blocks, such as flavones, 4H-thiochromen-4-ones, alpha-hydroxy ketones, 1,4-naphthoquinones (including vitamin K-3), 2-bromo-3-substituted-1H-1-indenones, 2-rnethylthio-1H-1-indenones, 3-butyne-1,2-dione, and 4-pentene-2,3-diones. The simple and mild reaction conditions make the reagent superior in terms of yield and substrate scope in comparison with the existing alternatives.

  DOI：

  10.1021/acs.joc.5b00846

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Lopez Omar D.

  公开号：US20110294819A1

  公开（公告）日：2011-12-01

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such compounds, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物，包括这些化合物的组合物以及抑制NS5A蛋白功能的方法。
• Kaji, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 851,853
  作者：Kaji

  DOI：——

  日期：——
• Crout, David H. G.; Dalton, Howard; Hutchinson, David W., Journal of the Chemical Society. Perkin transactions I, 1991, # 5, p. 1329 - 1334
  作者：Crout, David H. G.、Dalton, Howard、Hutchinson, David W.、Miyagoshi, Masanori

  DOI：——

  日期：——
• US8735398B2
  申请人：——

  公开号：US8735398B2

  公开（公告）日：2014-05-27
• PPh₃·HBr–DMSO: A Reagent System for Diverse Chemoselective Transformations
  作者：Kanchan Mal、Amanpreet Kaur、Fazle Haque、Indrajit Das

  DOI：10.1021/acs.joc.5b00846

  日期：2015.6.19

  The broad applicability of the hitherto unexplored reagent combination PPh3 center dot HBr-DMSO is exemplified with multiple highly diverse one-step transformations to synthetically useful building blocks, such as flavones, 4H-thiochromen-4-ones, alpha-hydroxy ketones, 1,4-naphthoquinones (including vitamin K-3), 2-bromo-3-substituted-1H-1-indenones, 2-rnethylthio-1H-1-indenones, 3-butyne-1,2-dione, and 4-pentene-2,3-diones. The simple and mild reaction conditions make the reagent superior in terms of yield and substrate scope in comparison with the existing alternatives.