dimethyl N-benzoyldithiocarbonimidate | 24786-18-3

• 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: dimethyl N-benzoyldithiocarbonimidate
• 英文别名: dimethyl-N-benzoyl-dithioimidocarbonate；N-benzoyl-S,S-dimethyldithiocarbamate；N-Benzoyliminodithiokohlensaeuredimethylester；N-dimethylthiomethylene benzoyl amide；Dimethyl N-benzoylcarbimidodithioate；benzoyl-dithiocarbonimidic acid dimethyl ester；Dithiokohlensaeure-dimethylester-benzoylimid；Benzoyl-dithiocarbimidsaeure-dimethylester；N-(bis-methylsulfanyl-methylene)-benzamide；dimethyl benzoylcarbonimidodithioate；N-[bis(methylsulfanyl)methylidene]benzamide
• CAS: 24786-18-3
• 化学式: C₁₀H₁₁NOS₂
• 分子量: 225.335
• InChiKey: QDNKEVOCVCKGGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  43 °C
• 沸点：
  351.5±25.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dimethyl N-benzoyldithiocarbonimidate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以85%的产率得到3-methylthio-5-phenyl-2H-[1,2,4]triazole
  参考文献：
  名称：

  New Synthesis of DimethylN-Aroylcarbimidodithioates and 3-Aryl-5-methylthio-1H-1,2,4-triazoles

  摘要：

  DOI：

  10.1055/s-1981-29525
• 作为产物：
  描述：

  N-Benzoyl-dithiocarbaminsaeure-methylester 以88%的产率得到
  参考文献：
  名称：

  AUGUSTIN M.; RICHTER M.; SALAS S., J. PRAKT. CHEM., 1980, 322, NO 1, 55-68

  摘要：

  DOI：

文献信息

• Synthesis of 3-Aroyl-1-ethoxycarbonylmethyl-2-methylisothioureas and 2-Aroylimino-4-ethoxycarbonyl-hexahydropyrimidin-5-ones
  作者：Naoaki Fukada、Yoshikazu Takahashi、Masahiro Hayashi

  DOI：10.1055/s-1986-31682

  日期：——

  3-Aroyl-1-ethoxycarbonylmethyl-2-methylisothioureas and 2-aroylimino-4 -ethoxycarbonyl-hexahydropyrimidin-5-ones were synthesized from dimethyl N-aroylcarbonimidodithioates and glycine ethyl ester.

  以二甲基N-酰基碳酰亚胺二硫化物和甘氨酸乙酯为原料，合成了3-酰基-1-乙氧羰甲基-2-甲基异硫脲和2-酰亚胺基-4-乙氧羰基六氢嘧啶-5-酮。
• Pyrrolobenzimidazolones and their use as antiproliferative agents
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1598353A1

  公开（公告）日：2005-11-23

  The invention relates to pyrrolobenzimidazolone compounds of formula (I), wherein A,T and R1 to R3 are defined as in claim 1, which possess tubulin inhibitory activity and are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation and the use thereof for preparing a pharmaceutical composition.

  该发明涉及式(I)的吡咯苯并咪唑酮化合物，其中A、T和R1至R3的定义如权利要求书中所述，具有微管抑制活性，适用于治疗由细胞过度或异常增殖所特征的疾病，并用于制备药物组合物。
• Synthesis of some disubstituted 1,2,4-oxadiazoles and furazans
  作者：B. W. Nash、R. A. Newberry、R. Pickles、W. K. Warburton

  DOI：10.1039/j39690002794

  日期：——

  No Beckmann rearrangement occurs when ω-chlorophenylglyoxime is treated with phosphorus pentachloride, and the steam-volatile product is 3-chloro-4-phenylfurazan (II; R = Cl), not, as previously reported, 3-chloro-5-phenyl-1,2,4-oxadiazole (I; R = Cl).

  当用五氯化磷处理ω-氯苯基乙二肟时，不会发生贝克曼重排，并且蒸汽挥发产物为3-氯-4-苯基呋喃山（II； R = Cl），而不是以前报道的3-氯-5-苯基- 1,2,4-恶二唑（I; R = Cl）。
• An ?-hydrazinoalkylphosphonate as building block for novelN-phosphonoalkylheterocycles
  作者：Zai-Guo Li、Hui-Kai Sun、Qing-Min Wang、Run-Qiu Huang

  DOI：10.1002/hc.10173

  日期：——

  α-Hydrazinoalkylphosphonate 3 is a useful building block for the syntheses of novel N-phosphonoalkylheterocycles. N-phosphonoalkylpyrazoles 8 and 9 were prepared by the cyclization reaction of 3 with multifunctioned ethenes 5 and 6 in ethanol under reflux. N-Phosphonoalkyltriazole 10 was synthesized from 3 with N-dimethylthiomethylene benzoyl amide 4 in ethanol under reflux. The structures were confirmed

  α-肼基烷基膦酸酯 3 是合成新型 N-膦酰基烷基杂环的有用构件。N-膦酰基烷基吡唑 8 和 9 是通过 3 与多功能乙烯 5 和 6 在乙醇中回流的环化反应制备的。N-膦酰基烷基三唑 10 由 3 与 N-二甲基硫代亚甲基苯甲酰酰胺 4 在乙醇中回流合成。结构经IR、1H NMR、质谱和元素分析证实。同时考察了4的制备。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:384–386, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10173
• Synthesis of Benzoxazole Amides as Novel Antifungal Agents against Malassezia Furfur
  作者：Beom-Joon Kim、Jin-Ah Kim、Young-Kook Kim、Soon-Yong Choi、Hea-Young ParkChoo

  DOI：10.5012/bkcs.2010.31.5.1270

  日期：2010.5.20

  Malassezia is a pathogenic fungus that causes skin diseases, such as tinea versicolor, atopic dermatitis and fatal sepsis. We report the synthesis of a series of benzoxazole amides and evaluation of their antifungal activity against Malassezia furfur. Twelve benzoxazole amides were prepared through the cyclization of the substituted 2-hydroxy aniline with N-(bis-methylsulfanylmethylene) amides. Among the prepared compounds, the compounds 4a, 8b, 8c and 8d showed in vitro antifungal activity.

  马拉色菌是一种致病真菌，可引起皮肤病，如皮肤癣菌、特应性皮炎和致命的败血症。我们报告了一系列苯并恶唑酰胺的合成及其对糠秕马拉色菌抗真菌活性的评估。通过将取代的 2- 羟基苯胺与 N-（双甲硫基亚甲基）酰胺环化，制备了 12 种苯并恶唑酰胺类化合物。在制备的化合物中，化合物 4a、8b、8c 和 8d 具有体外抗真菌活性。