thiooxamide acid ethyl ester | 10197-39-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: thiooxamide acid ethyl ester
• 英文别名: N1-Ethylethanebis(thioamide)；N'-ethylethanedithioamide
• CAS: 10197-39-4
• 化学式: C₄H₈N₂S₂
• mdl: MFCD19204644
• 分子量: 148.253
• InChiKey: TUTOQTNIHPIGRN-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C(Solv: ethanol (64-17-5))
• 沸点：
  232.4±23.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  thiooxamide acid ethyl ester 、 copper(l) chloride 以 盐酸 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  The infrared spectra of complexes with planar dithiooxamides Part IX. Cu(LH2)1X1 and Ag(LH2)1X1 complexes

  摘要：

  In acid media Cu(I) and Ag(I) form complexes with planar dithiooxamides (LH(2)) of formula M(LH(2))(1)X(1). Complexes with dithiooxamide (DTO), N-methyldithiooxamide (MDTO) and N,N'-dimethyldithiooxamide (DMTO) have been prepared. Although all complexes studied have the same formula, different structures, depending on the halogen and the ligand used, are formed, as is shown by a thorough study of the vibrational spectra of these compounds. The M(DMDTO)(1)X(1) (X is Cl, Br) complexes and Cu(MDTO)(1)Cl-1 are found to form binuclear complexes with bridging halogens, wherein the ligand exhibits an S-cis structure. For the other complexes studied, the dithiooxamide has an S-trans conformation and polymeric structures are formed. In the case of Ag(DTO)(1)Cl-1, Ag(MDTO)(1)Cl-1 and Cu(DTO)(1)Cl-1 terminal metal-halogen bonds are present and trigonal coordination around the metal is proposed, while for Cu(DTO)(1)Br-1 and the Cu(LH(2))(1)I-1 complexes bridging halogens are present in the structure, giving a tetrahedral coordination. For Cu(MDTO)(1)Br-1 two different types of complexes could be obtained.

  DOI：

  10.1016/0584-8539(95)01654-6
• 作为产物：
  描述：

  乙胺 、 二硫代乙酰胺 在 sodium hydroxide 作用下， 生成 thiooxamide acid ethyl ester
  参考文献：
  名称：

  不对称二硫代草酰胺的制备。

  摘要：

  DOI：

  10.1021/jo01280a062

文献信息

• 1,5-Diphenyl-1,2,4-triazole-3-carboxylic acid derivatives for the
  申请人：Ciba-Geigy Corporation

  公开号：US05077413A1

  公开（公告）日：1991-12-31

  1,5-Diphenyl-1,2,4-triazole-3-carboxylic acid derivatives of formula ##STR1## wherein each of R.sub.a and R.sub.b, independently of the other, is halogen, C.sub.1 -C.sub.5 alkyl, C.sub.1 -C.sub.5 haloalkyl, C.sub.2 -C.sub.5 alkenyl, C.sub.2 -C.sub.5 alkynyl or cyano, n is zero or a number from 1 to 3 and OR is hydroxy, a phytophysiologically tolerable metal or ammonium salt radical, or an ester radical defined in the description, are capable of specifically antagonizing the phytotoxic action of herbicides. 1,5-Diphenyl-1,2,4-triazole-3-carboxylic acid derivatives of formula I and the preparation thereof, compositions containing these components as selective herbicides and the use of these two active ingredient components for controlling weeds in crops of useful plants are described.

  公式为##STR1##的1,5-二苯基-1,2,4-三唑-3-羧酸衍生物，其中R.sub.a和R.sub.b各自独立地为卤素、C.sub.1-C.sub.5烷基、C.sub.1-C.sub.5卤代烷基、C.sub.2-C.sub.5烯基、C.sub.2-C.sub.5炔基或氰基，n为0或1至3的数字，OR为羟基、植物生理学可容忍的金属或铵盐基团，或在描述中定义的酯基团，能够特异性地拮抗除草剂的植物毒性作用。本文描述了公式I的1,5-二苯基-1,2,4-三唑-3-羧酸衍生物及其制备，含有这些成分作为选择性除草剂的组合物以及这两种活性成分用于控制有用植物作物中的杂草的用途。
• Kibbel, H. U.; Kuecken, M.; Peters, E., Journal fur praktische Chemie (Leipzig 1954), 1981, vol. 323, # 1, p. 41 - 48
  作者：Kibbel, H. U.、Kuecken, M.、Peters, E.、Weber, H.

  DOI：——

  日期：——
• Preparation of unsymmetrical dithiooxamides
  作者：Bernard J. Haske、Margaret E. Matthews、John A. Conkling、Hermann P. Perzanowski

  DOI：10.1021/jo01280a062

  日期：1967.5
• The infrared spectra of complexes with planar dithiooxamides Part IX. Cu(LH2)1X1 and Ag(LH2)1X1 complexes
  作者：B. Slootmaekers、A.C. Fabretti、H.O. Desseyn、S.P. Perlepes

  DOI：10.1016/0584-8539(95)01654-6

  日期：1996.9

  In acid media Cu(I) and Ag(I) form complexes with planar dithiooxamides (LH(2)) of formula M(LH(2))(1)X(1). Complexes with dithiooxamide (DTO), N-methyldithiooxamide (MDTO) and N,N'-dimethyldithiooxamide (DMTO) have been prepared. Although all complexes studied have the same formula, different structures, depending on the halogen and the ligand used, are formed, as is shown by a thorough study of the vibrational spectra of these compounds. The M(DMDTO)(1)X(1) (X is Cl, Br) complexes and Cu(MDTO)(1)Cl-1 are found to form binuclear complexes with bridging halogens, wherein the ligand exhibits an S-cis structure. For the other complexes studied, the dithiooxamide has an S-trans conformation and polymeric structures are formed. In the case of Ag(DTO)(1)Cl-1, Ag(MDTO)(1)Cl-1 and Cu(DTO)(1)Cl-1 terminal metal-halogen bonds are present and trigonal coordination around the metal is proposed, while for Cu(DTO)(1)Br-1 and the Cu(LH(2))(1)I-1 complexes bridging halogens are present in the structure, giving a tetrahedral coordination. For Cu(MDTO)(1)Br-1 two different types of complexes could be obtained.