ethyl 4-bromo-5-pentafluorosulfanylpentanoate | 1067879-43-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-bromo-5-pentafluorosulfanylpentanoate
• 英文别名: Ethyl 4-bromo-5-(pentafluoro-lambda6-sulfanyl)pentanoate；ethyl 4-bromo-5-(pentafluoro-λ6-sulfanyl)pentanoate
• CAS: 1067879-43-9
• 化学式: C₇H₁₂BrF₅O₂S
• 分子量: 335.133
• InChiKey: USPQXPVEAZJGLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  27.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 4-bromo-5-pentafluorosulfanylpentanoate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 苯 为溶剂， 反应 0.08h， 以96%的产率得到ethyl 5-pentafluorosulfanylpent-4-enoate
  参考文献：
  名称：

  Improved and facile addition reactions of pentafluorosulfanyl bromide

  摘要：

  A solution of SF(5)Br in CCl(3)F (0.5-1 M) Was utilized to effect the addition of pentafluorosulfanyl bromide (SF(5)Br) to olefins. The reaction of the SF5Br solution in the presence of triethylborane (0.1 equiv) With an olefin over 20 min at 0 degrees C gave pentafluorosulfanylated compound 2(a-f) in high yield (Table 2). An efficient route for the preparation of synthetically useful SF5-containing esters is also described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.07.080
• 作为产物：
  描述：

  4-戊烯酸乙酯 在 pentafluorosulfanyl bromide 、 三乙基硼 作用下， 以 一氟三氯甲烷 为溶剂， 反应 0.33h， 以93%的产率得到ethyl 4-bromo-5-pentafluorosulfanylpentanoate
  参考文献：
  名称：

  Improved and facile addition reactions of pentafluorosulfanyl bromide

  摘要：

  A solution of SF(5)Br in CCl(3)F (0.5-1 M) Was utilized to effect the addition of pentafluorosulfanyl bromide (SF(5)Br) to olefins. The reaction of the SF5Br solution in the presence of triethylborane (0.1 equiv) With an olefin over 20 min at 0 degrees C gave pentafluorosulfanylated compound 2(a-f) in high yield (Table 2). An efficient route for the preparation of synthetically useful SF5-containing esters is also described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.07.080