氯乙腈-¹³C₂,¹⁵N | 850261-36-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 氯乙腈-¹³C₂,¹⁵N
• 英文名称: [13C2,15N]chloroacetonitrile
• 英文别名: chloro(¹³C₂,¹⁵N)acetonitrile；Chloroacetonitrile-13C2, 15N；2-chloroacetonitrile
• CAS: 850261-36-8
• 化学式: C₂H₂ClN
• 分子量: 78.4689
• InChiKey: RENMDAKOXSCIGH-STGVANJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  sodium methylate 、 氯乙腈-¹³C₂,¹⁵N 以 甲醇 、 乙醚 为溶剂， 生成 methyl 2-chloro(1,2-13C2)ethan(15N)imidate
  参考文献：
  名称：

  The syntheses of [14C] and [13C2,15N3]aprepitant

  摘要：

  为了支持开发化疗引起的恶心和呕吐的治疗方案，合成了两种同位素标记的神经激肽-1受体拮抗剂阿普拉زب（aprepitant）。一种[l4C]-标记的版本用于代谢研究，而另一种[13C2,15N3]-标记的版本用于研究最终市场形象的生物利用度。这两种合成都采用了标记的氯乙腈，该氯乙腈是通过两步从标记的氰化钾合成的。版权所有 © 2004 John Wiley & Sons, Ltd.

  DOI：

  10.1002/jlcr.872
• 作为产物：
  描述：

  [13C2,15N]hydroxyacetonitrile 在 吡啶 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 以65%的产率得到氯乙腈-¹³C₂,¹⁵N
  参考文献：
  名称：

  The syntheses of [14C] and [13C2,15N3]aprepitant

  摘要：

  为了支持开发化疗引起的恶心和呕吐的治疗方案，合成了两种同位素标记的神经激肽-1受体拮抗剂阿普拉زب（aprepitant）。一种[l4C]-标记的版本用于代谢研究，而另一种[13C2,15N3]-标记的版本用于研究最终市场形象的生物利用度。这两种合成都采用了标记的氯乙腈，该氯乙腈是通过两步从标记的氰化钾合成的。版权所有 © 2004 John Wiley & Sons, Ltd.

  DOI：

  10.1002/jlcr.872

文献信息

• 10.1002/jlcr.4096
  作者：Horty, Lindsey G.、Martin, Timothy

  DOI：10.1002/jlcr.4096

  日期：——

  ABSTRACTRimsulfuron is a sulfonylurea herbicide that controls grass and broadleaf weeds in maize, potatoes, fruits, nuts, and other crops. It can also be used as a burndown herbicide to clear invasive weed species along roadsides and other nonagricultural land. Rimsulfuron acts as an acetolactase synthase (ALS) inhibitor, blocking the synthesis of essential amino acids required for plant growth. As is common practice, rimsulfuron has been subject to periodic reviews by regulatory agencies for reregistration since its introduction into the market in the early 1990s. The goal of these reviews is to ensure that the herbicide carries out its intended use without creating adverse side effects to humans and the environment. Since scientific methods are continually evolving and being developed, global regulatory agencies can require additional studies to address data gaps for pesticide renewals. During this reregistration process for rimsulfuron, a new confined rotational crop study was required to address a data gap requested by the European Food Safety Authority (EFSA). Consequently, the corresponding pyridine and pyrimidine radiolabeled [14C]rimsulfuron and [M + 3] stable isotopes of rimsulfuron were synthesized for this study to support the reregistration process.
• The syntheses of [14C] and [13C2,15N3]aprepitant
  作者：Charles S. Elmore、Dennis C. Dean、Yong Zhang、David G. Mellilo

  DOI：10.1002/jlcr.872

  日期：2004.10.30

  In support of a program to develop a treatment for chemotherapy-induced nausea and vomiting, two isotopically labeled forms of neurokinin-1 receptor antagonist aprepitant have been synthesized. A [l4C]-labeled version was synthesized for use in metabolism studies, while a [13C2,15N3]-labeled version was synthesized for use in a study to determine the bioavailability of the final market image. Both syntheses utilized labeled chloroacetonitrile which was synthesized in two steps from labeled potassium cyanide. Copyright © 2004 John Wiley & Sons, Ltd.

  为了支持开发化疗引起的恶心和呕吐的治疗方案，合成了两种同位素标记的神经激肽-1受体拮抗剂阿普拉زب（aprepitant）。一种[l4C]-标记的版本用于代谢研究，而另一种[13C2,15N3]-标记的版本用于研究最终市场形象的生物利用度。这两种合成都采用了标记的氯乙腈，该氯乙腈是通过两步从标记的氰化钾合成的。版权所有 © 2004 John Wiley & Sons, Ltd.