methyl [3-(2',4'-dichlorobenzylidene)]-carbazate | 103413-10-1

• 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: methyl [3-(2',4'-dichlorobenzylidene)]-carbazate
• 英文别名: methyl N-[(2,4-dichlorophenyl)methylideneamino]carbamate
• CAS: 103413-10-1
• 化学式: C₉H₈Cl₂N₂O₂
• 分子量: 247.081
• InChiKey: DSMXIGPLIIYFNC-UHFFFAOYSA-N

物化性质

• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl [3-(2',4'-dichlorobenzylidene)]-carbazate 在 氯 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Novel Synthesis, Characterisation and Antitumour Activity of Dimethyl-3,6-di(Aryl)-1,4-Dihydro-1,2,4,5-Tetrazine-1,4-Dicarboxylates

  摘要：

  A series of new dimethyl-3,6-di(aryl)-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxylates were synthesised through an intermolecular cyclisation reaction of methyl N'-(alpha-chloro-substituted benzylidene) hydrazinecarboxylate and triethylamine. Their 1,4-dihydro-s-tetrazine structures were characterised by IR, H-1 NMR, MS, elemental analysis. Their antitumour activities were evaluated in vitro by the SRB method for A-549 cells and the MTT method for P-388 cells. The results show that none of the compounds had a high activity, but the substituents clearly had an effect on their antitumour activity.

  DOI：

  10.3184/174751914x14001747558135
• 作为产物：
  描述：

  2,4-二氯苯甲醛 生成 methyl [3-(2',4'-dichlorobenzylidene)]-carbazate
  参考文献：
  名称：

  Carbazic acid derivatives

  摘要：

  该发明涉及新的卡巴酸衍生物，以及其制备方法和含有该衍生物的组合物，特别是饲料添加剂和动物饲料。根据该发明，新的化合物对应于以下式(I)：R.sup.1 .dbd.N--NH--COOR.sup.3 (I)，其中R.sup.1代表一个C.sub.7-12环烷基亚甲基基团，一个茚亚甲基基团或一个具有以下式(IX)的基团 ##STR1## 其中A代表一个苯基，可选择地携带一个或多个相同或不同的取代基，所选取代基来自卤硝基、羟基、C.sub.1-14烷氧基、C.sub.1-4烷基、氨基或C.sub.1-4烷氧羰基肼基组成的群；苯基-(C.sub.1-4烷基)、C.sub.1-16烷基、C.sub.3-7环烷基或吲哚基或被C.sub.3 -C.sub.6环烷基取代的C.sub.3 -C.sub.6环烷基；R.sup.2代表氢原子、C.sub.1-16烷基或C.sub.3-7环烷基；R.sup.3代表C.sub.1-4烷基基团。

  公开号：

  US04570002A1

文献信息

• Carbazic acid derivatives
  申请人：Egyt Gyogyszervegyeszeti Gyar

  公开号：US04570002A1

  公开（公告）日：1986-02-11

  The invention relates to new carbazic acid derivatives, a process for the preparation thereof and compositions--particularly feed additives and animal feeds--containing the same. The new compounds according to the invention correspond to the formula (I) R.sup.1 .dbd.N--NH--COOR.sup.3 (I) wherein R.sup.1 stands for a C.sub.7-12 cycloalkylidene group, an indanylidene group or a group of the formula (IX) ##STR1## wherein A represents a phenyl group optionally carrying one or more identical or different substituents selected from the group consisting of halo nitro, hydroxy, C.sub.1-14 alkoxy, C.sub.1-4 alkyl, amino or C.sub.1-4 alkoxycarbonylhydrazino; phenyl-(C.sub.1-4 alkyl), C.sub.1-16 alkyl, C.sub.3-7 cycloalkyl or indolyl or a C.sub.3 -C.sub.6 cycloalkyl group substituted by a C.sub.3 -C.sub.6 cycloalkyl group; R.sup.2 denotes a hydrogen atom, a C.sub.1-16 alkyl or a C.sub.3-7 cycloalkyl group; and R.sup.3 represents a C.sub.1-4 alkyl group.

  该发明涉及新的卡巴酸衍生物，以及其制备方法和含有该衍生物的组合物，特别是饲料添加剂和动物饲料。根据该发明，新的化合物对应于以下式(I)：R.sup.1 .dbd.N--NH--COOR.sup.3 (I)，其中R.sup.1代表一个C.sub.7-12环烷基亚甲基基团，一个茚亚甲基基团或一个具有以下式(IX)的基团 ##STR1## 其中A代表一个苯基，可选择地携带一个或多个相同或不同的取代基，所选取代基来自卤硝基、羟基、C.sub.1-14烷氧基、C.sub.1-4烷基、氨基或C.sub.1-4烷氧羰基肼基组成的群；苯基-(C.sub.1-4烷基)、C.sub.1-16烷基、C.sub.3-7环烷基或吲哚基或被C.sub.3 -C.sub.6环烷基取代的C.sub.3 -C.sub.6环烷基；R.sup.2代表氢原子、C.sub.1-16烷基或C.sub.3-7环烷基；R.sup.3代表C.sub.1-4烷基基团。
• Novel Synthesis, Characterisation and Antitumour Activity of Dimethyl-3,6-di(Aryl)-1,4-Dihydro-1,2,4,5-Tetrazine-1,4-Dicarboxylates
  作者：Lu-Ping Lv、Xiao-Feng Zhou、Hai-Bo Shi、Jian-Rong Gao、Wei-Xiao Hu

  DOI：10.3184/174751914x14001747558135

  日期：2014.6

  A series of new dimethyl-3,6-di(aryl)-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxylates were synthesised through an intermolecular cyclisation reaction of methyl N'-(alpha-chloro-substituted benzylidene) hydrazinecarboxylate and triethylamine. Their 1,4-dihydro-s-tetrazine structures were characterised by IR, H-1 NMR, MS, elemental analysis. Their antitumour activities were evaluated in vitro by the SRB method for A-549 cells and the MTT method for P-388 cells. The results show that none of the compounds had a high activity, but the substituents clearly had an effect on their antitumour activity.