N-Pentafluorosulfanyl-1-octyl carbamate | 136397-69-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-Pentafluorosulfanyl-1-octyl carbamate
• 英文别名: octyl N-(pentafluoro-lambda6-sulfanyl)carbamate；octyl N-(pentafluoro-λ6-sulfanyl)carbamate
• CAS: 136397-69-8
• 化学式: C₉H₁₈F₅NO₂S
• 分子量: 299.305
• InChiKey: QDVSXTKCARQWBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  39.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-Pentafluorosulfanyl-1-octyl carbamate 在 硝酸 、 三氟乙酸酐 作用下， 反应 4.5h， 以0.6 g的产率得到N-(pentafluorosulfanyl)-N-nitro octyl carbamate
  参考文献：
  名称：

  N-Pentafluorosulfanyl-N-nitro carbamates

  摘要：

  Unlike N-alkyl carbamates, N-pentafluorosulfanyl carbamates (SF5NHCO2R) did not readily undergo nitration to provide the N-NO2 derivatives. Although trifluoroacetyl nitrate did provide nitration, work-up yielded a mixture of SF5N(NO2)CO2R and starting material. The ratio of nitration product to starting material was not changed after prolonged reaction times and the N-NO2 product was stable to the work-up conditions. A rationale for these results as well as the effect of varying R is discussed.

  DOI：

  10.1016/s0022-1139(00)80135-9
• 作为产物：
  描述：

  辛醇 、 pentafluorosulfanyl isocyanate 以 二氯甲烷 为溶剂， 反应 2.0h， 以97%的产率得到N-Pentafluorosulfanyl-1-octyl carbamate
  参考文献：
  名称：

  N-Pentafluorosulfanyl-N-nitro carbamates

  摘要：

  Unlike N-alkyl carbamates, N-pentafluorosulfanyl carbamates (SF5NHCO2R) did not readily undergo nitration to provide the N-NO2 derivatives. Although trifluoroacetyl nitrate did provide nitration, work-up yielded a mixture of SF5N(NO2)CO2R and starting material. The ratio of nitration product to starting material was not changed after prolonged reaction times and the N-NO2 product was stable to the work-up conditions. A rationale for these results as well as the effect of varying R is discussed.

  DOI：

  10.1016/s0022-1139(00)80135-9

文献信息

• N-Pentafluorosulfanyl-N-nitro carbamates
  作者：Michael E. Sitzmann

  DOI：10.1016/s0022-1139(00)80135-9

  日期：1991.4

  Unlike N-alkyl carbamates, N-pentafluorosulfanyl carbamates (SF5NHCO2R) did not readily undergo nitration to provide the N-NO2 derivatives. Although trifluoroacetyl nitrate did provide nitration, work-up yielded a mixture of SF5N(NO2)CO2R and starting material. The ratio of nitration product to starting material was not changed after prolonged reaction times and the N-NO2 product was stable to the work-up conditions. A rationale for these results as well as the effect of varying R is discussed.