sodium 3-methylpiperidine-1-carbodithioate | 98789-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: sodium 3-methylpiperidine-1-carbodithioate
• 英文别名: sodium;3-methylpiperidine-1-carbodithioate
• CAS: 98789-79-8
• 化学式: C₇H₁₂NS₂*Na
• 分子量: 197.301
• InChiKey: OZJSYTZPLKCFLY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  五羰基溴化锰(I) 、 sodium 3-methylpiperidine-1-carbodithioate 以 甲醇 为溶剂， 以49%的产率得到
  参考文献：
  名称：

  Synthesis, toxicities and bio-activities of manganese complexes with CO and H2S dual donors

  摘要：

  A series of H2S-CO dual-donors [Mn(CO)(4)CS2NR1R2] was synthesized, and evaluated from toxicity and bioactivity. The CO-H2S measuring test showed all the complexes not only released CO, but released H2S. The resulting data of cytotoxicity showed all the complexes had activities against the cell proliferation; among them, complexes 1, 2 and 7 displayed higher activities than the others, and their potencies were close to cis-platinum (DDP); whereas the precursors A(1)-A(22) had almost no activities against all five tumor cell lines and W138 cell line proliferation. It is worth noting that complex 1 displayed the highest activity to MCF-7, complex 2 displayed the highest activity to HePG2, and complex 7 showed selectivity inhibition to both A549 and HeLa. The developmental toxicities of the complex were assessed using zebrafish embryos. The results showed complexes 1 and 2 had effect on the mortality and hatching rate of zebrafish embryos in dose-dependent manner. They caused zebrafish malformations when they were over 10 mu M. Meanwhile, they displayed dose-dependent toxicities to larval zebrafish. In the test of bio-activities, complexes 1 and 2 had strong anti-inflammatory activities; they not only down-regulated the expression levels of iNOS and TNF-alpha, up-regulated the expression of HO-1 and IL-10, but also up-regulated COX-2 levels. In contrast, the precursor compound (A(1) or A(2)) displayed lower anti-inflammatory activity than the corresponding complex, which suggests both the CO and H2S from the complex took synergistic effects in the process of anti-inflammation. In addition, the complex showed antihypertensive effect and myocardial protection. This effect also possibly resulted from this synergistic effect. All these suggest the complexes have potential to be candidate medicines. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.10.004
• 作为产物：
  描述：

  3-甲基哌啶 在 二硫化碳 、 sodium hydroxide 、 乙醇 作用下， 生成 sodium 3-methylpiperidine-1-carbodithioate
  参考文献：
  名称：

  Liwschitz; Preobrashenskii, Zhurnal Obshchei Khimii, 1947, vol. 17, p. 1706,1707

  摘要：

  DOI：

文献信息

• A simple and convenient method for the synthesis of 1-dialkylaminocarbothioic acid S-[(2,3-epithio)propyl] esters
  作者：Kiran Kumar、V. L. Sharma、A. K. Dwivedi

  DOI：10.1002/jhet.5570430101

  日期：2006.1

  A simple and convenient method for the synthesis of 1-dialkylaminocarbothioic acid S-[(2,3-epithio)propyl] ester was developed by the reaction of 1-dialkylaminocarbodithioic acid-sodium salt with 1-chloro-2,3-epoxypropane in water-methanol mixture at room temperature. An intermediate was isolated and characterized, based on which a possible mechanism was proposed.

  通过1-二烷基氨基碳二硫辛酸钠盐与1-氯-2,3-环氧丙烷的反应，开发了一种简便的合成1-二烷基氨基碳硫辛酸S-[（（2,3-epithio）丙基]酯的方法。在室温下水-甲醇混合物。分离并表征了中间体，在此基础上提出了可能的机理。
• Fabrication and photocatalytic properties of Multi–Morphological CdS NSs prepared by the thermolysis of heterocyclic dithiocarbamate Cadmium(II) complexes as precursors
  作者：Narayanaswamy Srinivasan

  DOI：10.1016/j.dyepig.2018.10.059

  日期：2019.3

  These novel cadmium(II) complexes are used as a single source precursor for the preparation of CdS nanostructures (NS) using different amine solvents. The (102) plane is weaker in all the powder X–ray diffraction patterns of as–obtained CdS NSs and it confirmed that the synthesized CdS NSs are wurtzite phase. In this report, the amine solvents are used as a thermolysis solvent and these are highly

  这些新型镉（II）配合物用作使用不同胺溶剂制备CdS纳米结构（NS）的单一来源前体。（102）平面在所获得的CdS NSs的所有粉末X射线衍射图中均较弱，这证实了合成的CdS NSs为纤锌矿相。在该报告中，胺溶剂用作热分解溶剂，由于它们的螯合性能，它们是高效的形状定向剂。电子显微镜研究表明，CdS NSs处于纳米级，大多数CdS NSs处于纳米棒，纳米线中，而很少存在于异质结构（两脚架，三脚架）中。这些结果表明，所有合成的CdS NSs均为六方相和高结晶材料。溶剂的结构和性质会严重影响合成后的CdS NSs的形状和大小。记录红外光谱以检查合成的CdS NS的纯度。最后，胺溶剂和Cd（II）前体的作用能够通过使用前体溶剂热分解方法来控制所获得的CdS NS的大小和形状。所获得的CdS半导体光催化剂显示出增强的光催化活性。
• Synthesis and structural characterization of phenoxarsin-10-yl dithiocarbamates. O(C6H4) 2AsS2CN(CH2CH2)2, a compound containing an asymmetric mononuclear biconnective 1,1-dithiolato ligand
  作者：Raymundo Cea-Olivares、Rubén-Alfredo Toscano、Cristian Silvestru、Patricia Garcia-García、Marcel López-Cardoso、Georgina Blass-Amador、Heinrich Nöth

  DOI：10.1016/0022-328x(95)05342-m

  日期：1995.5

  The molecular structure of O(C6H4)2AsS2CN(CH2CH2)2 was determined using single-crystal X-ray diffraction. The compound is monomeric and contains an asymmetric monometallic biconnective dithiocarbamato unit (AsS(1), 2.277(1), Å; As⋯S(2), 3.183(3) Å). The double-bond character of the CN bond (1.318(5) Å) is in agreement with the NMR data. The dihedral angle (155.2°) of the phenoxarsine moiety is almost

  苯恶草素-10-基二硫代氨基甲酸酯O（C 6 H 4）2 AsS 2 CX（X = NMe 2，NEt 2，N（CH 2 CH）2，N（CH 2 CH 2）2或CH（CH 3）CH 2 ]）是通过O（C 6 H 4）2 AsCl与二硫代氨基甲酸钠反应制得的。通过IR，质谱和NMR（1 H和13 C）光谱对化合物进行表征。O（C 6 H 4）2的分子结构使用单晶X射线衍射测定AsS 2 CN（CH 2 CH 2）2。该化合物是单体的，并包含一个不对称的单金属双连接的二硫代氨基甲酸酯单元（As1S（1），2.277（1），Å； As⋯S（2），3.183（3）Å）。CN键（1.318（5）Å）的双键特征与NMR数据一致。苯恶ar碱部分的二面角（155.2°）几乎不受二硫代氨基甲酸酯配体取代氯的影响。
• Synthesis and spectroscopic characterization of arsenic(III), antimony(III), bismuth(III), tin(II) and lead(II) dithiocarbamate adducts
  作者：Antonio Constantino Fabretti、Aleardo Giusti、Carlo Preti、Giuseppe Tosi、Paolo Zannini

  DOI：10.1016/s0277-5387(00)84450-2

  日期：1986.1

  Abstract The complexes of arsenic(III), antimony(III), bismuth(III), tin(II) and lead(II) with monomethylsubstituted piperidinodithiocarbamates of general formula M(Rdtc)3 and M(Rdtc)2 have been prepared and characterized by spectroscopic methods. The results of the spectroscopic studies indicate that the dithiocarbamate ligands are always bidentate, in both the 1:3 and the 1:2 complexes. All the complexes

  摘要制备并表征了砷（Ⅲ），锑（Ⅲ），铋（Ⅲ），锡（Ⅱ）和铅（Ⅱ）与通式为M（Rdtc）3和M（Rdtc）2的单甲基取代的哌啶二硫代氨基甲酸酯的配合物。通过光谱方法。光谱研究的结果表明，二硫代氨基甲酸酯配体在1：3和1：2络合物中始终是双齿的。在DMF解决方案中，所有络合物都不导电。配合物的热行为已经通过TG和DTG技术进行了研究。分子量测定表明，砷和锑的三二硫代氨基甲酸酯是单体，而铋的三衍生物趋于二聚：可以建议锡（II）和铅（II）化合物具有聚合物结构。
• 2-Methyl-4/5-nitroimidazole derivatives potentiated against sexually transmitted Trichomonas : Design, synthesis, biology and 3D-QSAR study
  作者：Dhanaraju Mandalapu、Bhavana Kushwaha、Sonal Gupta、Nidhi Singh、Mahendra Shukla、Jitendra Kumar、Dilip K. Tanpula、Satya N. Sankhwar、Jagdamba P. Maikhuri、Mohammad I. Siddiqi、Jawahar Lal、Gopal Gupta、Vishnu L. Sharma

  DOI：10.1016/j.ejmech.2016.09.006

  日期：2016.11

  Trichomoniasis is the most prevalent, non-viral sexually transmitted diseases (STD) caused by amitochondriate protozoan Trichomonas vaginalis. Increased resistance of T. vaginalis to the marketed drug Metronidazole necessitates the development of newer chemical entities. A library of sixty 2-methyl-4/5-nitroimidazole derivatives was synthesized via nucleophilic ring opening reaction of epoxide and the efficacies against drug-susceptible and -resistant Trichomonas vaginalis were evaluated. All the molecules except two were found to be active against both susceptible and resistant strains with MICs ranging 8.55-336.70 mu M and 28.80-1445.08 mu M, respectively. Most of the compounds were remarkably more effective than the standard Metronidazole. This study analyzes the in vitro and in vivo activities of the new 5-nitroimidazoles, which were found to be safe against human cervical HeLa cells with good selectivity index. The exploration of SAR by the synthesis of four different prototypes and 3D-QSAR study has shown the importance of prototype 1 over other prototypes. (C) 2016 Elsevier Masson SAS. All rights reserved.