3,4-dichlorophenyl-[14C]isocyanate | 181180-11-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-dichlorophenyl-[14C]isocyanate
• 英文别名: 1,2-dichloro-4-(oxo(114C)methylideneamino)benzene
• CAS: 181180-11-0
• 化学式: C₇H₃Cl₂NO
• 分子量: 190.002
• InChiKey: MFUVCHZWGSJKEQ-DOMIDYPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-dichlorophenyl-[14C]isocyanate 、 N-甲基-N-甲氧基胺盐酸盐 以 二氯甲烷 为溶剂， 以69%的产率得到(carbonyl-14C)linuron
  参考文献：
  名称：

  Pesticides labelled with 14C.: IV. Synthesis of diuron and linuron in various positions

  摘要：

  Diuron and Linuron, two herbicides, with very similar structures were labelled in their aromatic ring with C-14. The yields of the synthesis (starting from (BaCO3)-C-14) was 8.5% and 4.8%, respectively. Linuron was also labelled with C-14 in its urea group with 33% yield.

  DOI：

  10.1002/(sici)1099-1344(199607)38:7<661::aid-jlcr876>3.0.co;2-b
• 作为产物：
  描述：

  3,4-dichloro[7-14C]benzoyl azide 以 甲苯 为溶剂， 反应 2.0h， 生成 3,4-dichlorophenyl-[14C]isocyanate
  参考文献：
  名称：

  Pesticides labelled with 14C.: IV. Synthesis of diuron and linuron in various positions

  摘要：

  Diuron and Linuron, two herbicides, with very similar structures were labelled in their aromatic ring with C-14. The yields of the synthesis (starting from (BaCO3)-C-14) was 8.5% and 4.8%, respectively. Linuron was also labelled with C-14 in its urea group with 33% yield.

  DOI：

  10.1002/(sici)1099-1344(199607)38:7<661::aid-jlcr876>3.0.co;2-b

文献信息

• An improved procedure for the preparation of radiochemically pure [carbonyl-14C]diuron
  作者：Deepak B. Kalgutkar、Sanjay P. Patil、Narath Jayachandran、V. K. P. Unnv

  DOI：10.1002/jlcr.1252

  日期：2007.4