N-methyl-N-benzyl-dithiocarbamate | 26387-05-3

• 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: N-methyl-N-benzyl-dithiocarbamate
• 英文别名: N-methylbenzyldithiocarbamic acid；Benzyl(methyl)carbamodithioic acid
• CAS: 26387-05-3
• 化学式: C₉H₁₁NS₂
• 分子量: 197.325
• InChiKey: KVRJHAJGPHILSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  36.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-N-benzyl-dithiocarbamate 、 N-(4-methoxybenzyl)-2,4-dinitro-benzenesulfonamide 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以74%的产率得到1-Benzyl-3-(4-methoxy-benzyl)-1-methyl-thiourea
  参考文献：
  名称：

  A novel deprotection/functionalisation sequence using 2,4-dinitrobenzenesulfonamide: Part 2

  摘要：

  Treatment of a series of 2,4-dinitrobenzenesulfonamides with either hydroxamic acids, dithioacids, or dithiocarbamic acids leads directly to the corresponding ureas, thioamides and thioureas respectively. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00018-5
• 作为产物：
  描述：

  二硫化碳 、 N-甲基苄胺 以 乙腈 为溶剂， 生成 N-methyl-N-benzyl-dithiocarbamate
  参考文献：
  名称：

  Dithiocarbamation of spiro-aziridine oxindoles: a facile access to C3-functionalised 3-thiooxindoles as apoptosis inducing agents

  摘要：

  已经通过直接对螺环-氮杂环氧吲哚进行二硫代氨基化，实现了对C3-官能化3-硫代氧吲哚的高效访问。已经研究了它们的诱导凋亡性能。

  DOI：

  10.1039/d1ob02102h

文献信息

• Synthesis, characterization, antibacterial and cytotoxic activity of new palladium(II) complexes with dithiocarbamate ligands: X-ray structure of bis(dibenzyl-1-S:S′-dithiocarbamato)Pd(II)
  作者：Farkhanda Shaheen、Amin Badshah、Marcel Gielen、Michal Dusek、Karla Fejfarova、Dick de Vos、Bushra Mirza

  DOI：10.1016/j.jorganchem.2007.03.019

  日期：2007.6

  Six palladium(II) dithiocarbamates of general formula Pd(AmDTC)2, where HAmDTC = aminedithiocarbamic acid, [Pd(II) piperidinedithiocarbamate (1), Pd(II) 4-methylpiperidinedithiocarbamate (2), Pd(II) N-methylbenzyldithiocarbamate (3), Pd(II) dibenzyldithiocarbamate (4), Pd(II) dicyclohexyldithiocarbamate (5), Pd(II) N-cyclohexyl-N-methyldithiocarbamate (6)] have been synthesized and characterized by

  六种通式为Pd（AmDTC）2的二硫代氨基甲酸钯（II），其中HAmDTC =胺二硫代氨基甲酸，[Pd（II）哌啶二硫代氨基甲酸酯（1），Pd（II）4-甲基哌啶二硫代氨基甲酸酯（2），Pd（II）N-甲基苄基二硫代氨基甲酸酯（3），Pd（II）二苄基二硫代氨基甲酸酯（4），Pd（II）二环己基二硫代氨基甲酸酯（5），Pd（II）N-环己基-N-甲基二硫代氨基甲酸酯（6） ]已通过元素分析，FT-IR，1进行了表征1 H和13 C NMR。化合物3和4的Pd（II）的X射线结构，表明配体被两个硫原子螯合，其键角为S1–Pd–S4 = 179.24（2）°和S2–Pd–S3 = 179.09（5）°，并且在Pd周围呈扭曲的正方形平面几何形状。筛选所有这些复合物的细胞毒性和抗菌作用，并显示出显着的抗菌活性，并且没有表明化合物特异性的实质性体外细胞毒性。
• Substituted 3-isothiazolones, salts and metal salt complexes thereof, compositions containing them and their use for combating bacteria, algae and fungi
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0031705A1

  公开（公告）日：1981-07-08

  The novel compounds, which exhibit activity as bactericides and fungicides, are compounds of Formula I below, or salts or metal salt complexes thereof, wherein R' is (C1-C8) alkyl, (C3-C6) cycloalkyl, phenyl-(C1-C4) alkyl or phenyl optionally substituted with up to 3 of the same or different halogen atoms; R2 is hydrogen, halogen or (C1-C4) alkyl; and R3 is cyano, a group of the formula or a group of the formula in which Z is (-CH2-)n n being an integer of 4 to 6 and R4 and R5, which may be the same or different, is each selected from (C1-C8) alkyl and phenyl (C1-C4) alkyl or R4 and R5 are joined to form, together with the nitrogen atom to which thev are attached, a group of the formula in which Z is as defined above.

  具有杀菌剂和杀真菌剂活性的新型化合物是下式 I 的化合物或其盐或金属盐复合物、 其中 R'是(C1-C8)烷基、(C3-C6)环烷基、苯基-(C1-C4)烷基或任选被最多 3 个相同或不同的卤素原子取代的苯基；R2 是氢、卤素或(C1-C4)烷基；R3 是氰基、式中的基团 或式 其中 Z 为 (-CH2-)n n 为 4-6 的整数，R4 和 R5（可以相同或不同）各自选自 (C1-C8) 烷基和苯基 (C1-C4) 烷基，或 R4 和 R5 连接，与所连接的氮原子一起形成一个式基团。 其中 Z 如上定义。
• Parkin ligase activation methods and compositions
  申请人：An2H Discovery Limited

  公开号：US10155936B2

  公开（公告）日：2018-12-18

  The present invention is directed to methods and compositions for activating a Parkin ligase by administering to a subject in need thereof a therapeutically effective amount of a compound that disrupts at least one Parkin ligase zinc finger. The present invention is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase.

  本发明涉及通过向有需要的受试者施用治疗有效量的破坏至少一个Parkin连接酶锌指的化合物来激活Parkin连接酶的方法和组合物。本发明还涉及治疗和/或降低与激活Parkin连接酶有关的疾病或病症发病率的方法。
• Synthesis, antifungal activities and molecular docking studies of novel 2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl dithiocarbamates
  作者：Yan Zou、Shichong Yu、Renwu Li、Qingjie Zhao、Xiang Li、Maocheng Wu、Ting Huang、Xiaoxun Chai、Honggang Hu、Qiuye Wu

  DOI：10.1016/j.ejmech.2014.01.009

  日期：2014.3

  A series of 2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl dithiocarbamates as new analogs of fluconazole were synthesized and their antifungal activities were evaluated. Among these compounds, 2a-f and 3a-q exhibited higher activities than fluconazole against nearly all fungi tested except Aspergillus fumigatus. Noticeably, the in vitro biological activities of 2b, 3a, 3c, 3h-k, and 3o-q against Candida species were much better than those of fluconazole and ketoconazole. Also, 2a-d, 3a-d, 3e-f, 3h-k, 3p and 3q showed higher activities against A. fumi than fluconazole. Computational docking experiments indicated that the inhibition of CYP51 involved a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. (C) 2014 Elsevier Masson SAS. All rights reserved.
• Visible-Light-Induced Photocatalytic Synthesis of β-Keto Dithiocarbamates via Difunctionalization of Styrenes
  作者：Ramesh Kumar Vishwakarma、Saurabh Kumar、Krishna Nand Singh

  DOI：10.1021/acs.orglett.1c01059

  日期：2021.6.4