Diisobutyl-thiocarbamic acid | 71261-27-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: Diisobutyl-thiocarbamic acid
• 英文别名: bis(2-methylpropyl)carbamothioic S-acid
• CAS: 71261-27-3
• 化学式: C₉H₁₉NOS
• 分子量: 189.322
• InChiKey: VMEOFRRFNIVESX-UHFFFAOYSA-N

物化性质

• 沸点：
  234.2±23.0 °C(Predicted)
• 密度：
  0.964±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Diisobutyl-thiocarbamic acid 在 一水合肼 作用下， 生成 3-amino-1,1-bis(2-methylpropyl)thiourea
  参考文献：
  名称：

  Copper(II) complexes with substituted thiosemicarbazones of thiophene-2-carboxaldehyde: synthesis, characterization and antiamoebic activity against E. histolytica

  摘要：

  In an effort to develop potent antiamoebic agents, a series of thiosemicarbazone (TSC) ligands 1-5 derived from thiophene-2carboxaldehyde and N-4-substituted thiosemicarbazides has been prepared and characterized using various spectroscopic techniques. Treatment of the ligands with cupric chloride produced the copper(H) complexes [Cu(TSC)(2)Cl-2] 1a-5a where ligand bind through thionic sulfur and the azomethine nitrogen. The possible geometries of the complexes were assigned on the basis of magnetic moment, electronic and thermal patterns as well as infrared spectral studies. The thiosemicarbazones and their copper complexes were tested for their in vitro antiamoebic activity against HK-9 strain of Entamoeba histolytica and showed significant growth inhibition. The results revealed that these complexes are effective chemicals in inhibiting amoebal growth, with compound 5 (having -N(CH3)(C6H5) substituent at N-4) and complexes 1a-5a being more effective than the commercial antiamoebic drug, metronidazole, based on IC50 values. These data also indicated that the compounds 3a and 5a are most effective among the complexes studied (IC50 = 0.26 mu M of 3a and IC50 = 0.21 mu M of 5a versus IC50 = 1.81 mu M of metronidazole). (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.05.013

文献信息

• PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE
  申请人：Ziemer Frank

  公开号：US20080269059A1

  公开（公告）日：2008-10-30

  Compounds of the formula (I), or salts thereof, in which R 1 to R 4 are as defined in formula (I) of claim 1 are suitable as useful-plant-protecting agents for reducing or preventing harmful effects of agrochemicals on the useful plants and their method of preparation are described.

  公式(I)中的化合物或其盐，其中R1至R4如权利要求1中的公式(I)所定义的，适用作为有用植物保护剂，用于减少或预防农药对有用植物的有害影响，并描述了它们的制备方法。
• Heterocyclic compounds
  申请人：ZENECA LIMITED

  公开号：EP0355049A2

  公开（公告）日：1990-02-21

  A herbicidal compound of formula (I): in which R' is independently selected from H, CN, N02, halogen, lower alkyl, lower haloalkyl; m is an integer of from 1 to 4; R2 is N or CR' where R1 is as defined above; R3 is a group of formula (a), (b) or (c): or N-oxide or quaternary salt derivatives thereof wherein R4 is a specified organic group. Processes for the preparation of these compounds and compositions containing them are also described.

  公式（I）的除草化合物：其中R'独立地选自H、CN、N02、卤素、较低的烷基、较低的卤代烷基；m是1到4的整数；R2是N或CR'，其中R1如上所定义；R3是公式（a）、（b）或（c）的基团：或其N-氧化物或季铵盐衍生物，其中R4是指定的有机基团。还描述了制备这些化合物和含有它们的组合物的方法。
• Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use
  申请人：Schaper Wolfgang

  公开号：US20050256000A1

  公开（公告）日：2005-11-17

  Compounds of the formula (I) and salts thereof in which X is O or S; (Y) n =n substituents Y, n is 0, 1, 2, 3 or 4, R 1 is H, OH, NH 2 , (C 1 -C 4 )-alkylamino, di-[(C 1 -C 4 )-alkyl]amino or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl or (C 1 -C 10 )-alkoxy, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, R 2 is H or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, where the radicals Y are as defined in claim 1 are suitable for use as safeners for crop plants or useful plants against the phytotoxic actions of agrochemicals such as pesticides in these plants.

  该式(I)的化合物及其盐，其中X为O或S；(Y)n=n取代基Y，n为0、1、2、3或4，R1为H、OH、NH2、(C1-C4)-烷基氨基、二-[(C1-C4)-烷基]氨基或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基或(C1-C10)-烷氧基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基，R2为H或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基，其中所述的基Y如权利要求1所定义的适用于作为作物植物或有用植物的安全剂，用于抵抗这些植物中农药等农药的植物毒性作用。
• Herbicide mixtures
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0351021A2

  公开（公告）日：1990-01-17

  A herbicidal composition comprises a carrier, a first herbicide and a second herbicide which is 3-(1-amino)ethylidene-5-methyl-furan-2,4-dione.

  一种除草剂组合物包括载体、第一除草剂和第二除草剂，第二除草剂是3-(1-氨基)乙烯基-5-甲基-呋喃-2,4-二酮。
• USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS
  申请人：Rosinger Christopher

  公开号：US20080269052A1

  公开（公告）日：2008-10-30

  According to the invention, compounds of the general formula (I) or salts thereof (pyridine-2-oxy-3-carboxamides), in which R 1 is a (C 1 -C 4 )-haloalkyl radical can be employed as safeners, i.e. as agents for preventing or reducing phytotoxic effects of pesticides, preferably herbicides, on useful plants.

  根据这项发明，通式（I）的化合物或其盐（吡啪酮-2-氧基-3-羧酰胺），其中R1是（C1-C4）卤代烷基基团，可用作安全剂，即用于防止或减轻杀虫剂，特别是除草剂对有用植物的毒害作用的药剂。