cyclopentanone-(13)CO | 68488-80-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cyclopentanone-(13)CO
• 英文别名: cyclopentanone-1-13C；Cyclopentanone (1-13C)；(113C)cyclopentanone
• CAS: 68488-80-2
• 化学式: C₅H₈O
• 分子量: 85.1069
• InChiKey: BGTOWKSIORTVQH-HOSYLAQJSA-N

物化性质

• 熔点：
  -51 °C(lit.)
• 沸点：
  130-131 °C(lit.)
• 密度：
  0.962 g/mL at 25 °C
• 闪点：
  87 °F

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  cyclopentanone-(13)CO 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  A bicyclic ketone as a solid-state carbon-13 NMR intensity reference

  摘要：

  The synthesis and NMR relaxation properties of 4-(N-methylpyrrolidino)bicyclo[3.2.1]octan-8-one triflate (321) are described. The use of (CO)-C-13-enriched 321 as a C-13 intensity reference is justified and demonstrated. The dominant C-13 peak in 321-(CO)-C-13 is 217 ppm, far from most other C-13 chemical shifts of diamagnetlc organic compounds. Hence, this intensity reference peak avoids peak overlap problems for most organic compounds.

  DOI：

  10.1021/ac00053a009
• 作为产物：
  描述：

  己二酸-1,6-13C2 在 potassium fluoride 作用下， 反应 3.0h， 生成 cyclopentanone-(13)CO
  参考文献：
  名称：

  A bicyclic ketone as a solid-state carbon-13 NMR intensity reference

  摘要：

  The synthesis and NMR relaxation properties of 4-(N-methylpyrrolidino)bicyclo[3.2.1]octan-8-one triflate (321) are described. The use of (CO)-C-13-enriched 321 as a C-13 intensity reference is justified and demonstrated. The dominant C-13 peak in 321-(CO)-C-13 is 217 ppm, far from most other C-13 chemical shifts of diamagnetlc organic compounds. Hence, this intensity reference peak avoids peak overlap problems for most organic compounds.

  DOI：

  10.1021/ac00053a009

文献信息

• Reactivity of a tungsten(II) aryloxide with imines, ketones and aldehydes
  作者：Mark A. Lockwood、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1039/cc9960002013

  日期：——

  The 16-electron complex [W(OC6HPh3-η6-Ph)(OC6HPh4-2,3,5,6)(η1-dppm)] reacts rapidly with imines, ketones and aldehydes to generate a variety of organometallic products.

  16电子络合物[W(OC6HPh3-η6-Ph)(OC6HPh4-2,3,5,6)(η1-dppm)]与亚胺、酮和醛反应迅速，生成多种有机金属化合物。