2-(acetoxy)tetrahydrothiophene | 1608-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环戊烷
• 英文名称: 2-(acetoxy)tetrahydrothiophene
• 英文别名: 2-acetoxytetrahydrothiophene；2-acetoxy-tetrahydro-thiophene；2-Acetoxy-tetrahydro-thiophen；2-Acetoxy-tetrahydrothiophen；2-Acetoxythiophan；thiolan-2-yl acetate
• CAS: 1608-66-8
• 化学式: C₆H₁₀O₂S
• 分子量: 146.21
• InChiKey: IFEXAEIVIOYZDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(acetoxy)tetrahydrothiophene 400.0 ℃ 、0.01 Pa 条件下， 反应 2.0h， 以86%的产率得到2,3-二氢噻吩
  参考文献：
  名称：

  A convenient synthesis of 2,3-dihydrothiophene

  摘要：

  DOI：

  10.1021/jo00351a029
• 作为产物：
  描述：

  四氢噻吩 、 过氧化乙酰 在 氯仿 作用下， 生成 2-(acetoxy)tetrahydrothiophene
  参考文献：
  名称：

  Horner; Juergens, Justus Liebigs Annalen der Chemie, 1957, vol. 602, p. 135,141, 145

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2015180612A1

  公开（公告）日：2015-12-03

  Disclosed are novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORγ.

  揭示了新型视黄醇相关孤儿受体γ（RORγ）调节剂及其在通过RORγ介导的疾病治疗中的应用。
• Horner; Kaiser, Justus Liebigs Annalen der Chemie, 1959, vol. 626, p. 19,20,24
  作者：Horner、Kaiser

  DOI：——

  日期：——
• Synthesis and antitumor activity of a series of ftorafur analogs: the effect of varying electronegativity at the 1'-position
  作者：Mark H. Holshouser、Annette M. Shipp、Paul W. Ferguson

  DOI：10.1021/jm00380a016

  日期：1985.2

  To test the effect of changes in electronegativity within the alicyclic N-1 substituent 5-fluorouracil analogues on cytotoxic activity, a series of derivatives of ftorafur, 1-(2'-tetrahydrofuranyl)-5-fluorouracil, was synthesized and tested for antitumor activity in the P388 lymphocytic leukemia screen and cytotoxic activity in the L1210 cell culture screen. Two compounds of N-1 substituent with high electronegativity, the 2'-tetrahydrothiophene 1'-oxide and the 2'-tetrahydrothiophene 1',1'-dioxide derivatives, demonstrated the highest in vitro L1210 cell inhibition (84.5% and 92.0%, respectively). Furthermore, against P388 lymphocytic leukemia in vivo, the 2'-tetrahydrothiophene 1'-oxide derivative showed significant activity (T/C = 143). Other compounds of similar or lower electronegativity within the N-1 cyclic substituent were inactive against P388 lymphocytic leukemia and less active against L1210 cells.
• SAUER, N. N.;ANGELICI, R. J.;HUANG, Y. C. J.;TRAHANOVSKY, W. S., J. ORG. CHEM., 1986, 51, N 1, 113-114
  作者：SAUER, N. N.、ANGELICI, R. J.、HUANG, Y. C. J.、TRAHANOVSKY, W. S.

  DOI：——

  日期：——
• NOVEL COMPOUNDS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3148975A1

  公开（公告）日：2017-04-05