methyl N-(pyridin-3-ylmethylideneamino)carbamodithioate | 26152-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl N-(pyridin-3-ylmethylideneamino)carbamodithioate
• CAS: 26152-31-8
• 化学式: C₈H₉N₃S₂
• 分子量: 211.312
• InChiKey: LRRDWEPBUOASPG-UHFFFAOYSA-N

物化性质

• 沸点：
  349.9±34.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl N-(pyridin-3-ylmethylideneamino)carbamodithioate 在 双氧水 、 乙酸酐 作用下， 生成 3-(5-Methanesulfonyl-[1,3,4]thiadiazol-2-yl)-pyridine 1-oxide
  参考文献：
  名称：

  Kubota, Seiju; Toyooka, Kouhei; Misra, Hemant K., Journal of the Chemical Society. Perkin transactions I, 1983, # 12, p. 2957 - 2962

  摘要：

  DOI：

文献信息

• Reactions of Hydrazonoyl Halides 56¹: Synthesis and Reactions of 1-Bromo-2-(5-chloro-benzofuranyl)ethanedione-1-phenylhydrazone
  作者：Abdou O. Abdelhamid、Ahmed H El-Ghandour、Ahmed A.M. El-Reedy

  DOI：10.1080/10426500701640876

  日期：2008.4.18

  2,3-Dihydro-1,3,4-thiadiazoles and triazolino[4,3-a]pyrimidines containing benzofuran moiety were prepared from reaction of 1-bromo-2-(5-chlorobenzofuranyl) ethanedione-1-phenylhydrazone with each of potassium thiocyanate, alkyl carbodithioates and pyrmidine-2-thiones. All newly synthesized were confirmed by elemental analysis, spectral data, and alternative route synthesis whenever possible.

  含有苯并呋喃部分的 2,3-二氢-1,3,4-噻二唑和三唑并[4,3-a]嘧啶是由 1-溴-2-(5-氯苯并呋喃基)乙二酮-1-苯腙与每一种反应制备的硫氰酸钾、烷基碳二硫代酸酯和嘧啶-2-硫酮。所有新合成的都尽可能通过元素分析、光谱数据和替代路线合成进行确认。
• Reactions with Hydrazonoyl Halides 42¹: Synthesis of Some New 2,3-Dihydro-1,3,4thiadiazoles, 2,3-Dihydro-1,3,4-selenadiazoles and Triazolino[, ]pyrimidines
  作者：Abdou O. Abdelhamid、Mohamed A. M. Alkhodshi

  DOI：10.1080/104265090508091

  日期：2005.1.1

  Abstract 2,3-Dihydro-1,3,4-thiadiazoles, 2,3-dihydro-1,3,4-selenadiazoles, unsymmetrical azines and triazolino[ [4] , [3] ]pyrimidines were prepared from reaction of (2Z)-3-aza-2-bromo-1-naphto[ [1] , [2] ]furan-2-yl-3-(phenylamino)prop-2-en-1-one (6) with each of potassium thiocyanate, potassium selenocyanate, alkyl carbodithioate, ethyl 6-methyl-2-methylthio-4-substituted 3,4-dihydropyrimidine-5-carboxylate

  摘要 2,3-二氢-1,3,4-噻二唑类、2,3-二氢-1,3,4-硒二唑类、不对称吖嗪类和三唑并[[4]、[3]]嘧啶类化合物由(2Z )-3-aza-2-bromo-1-naphto[[1], [2]]furan-2-yl-3-(phenylamino)prop-2-en-1-one (6) 与每个硫氰酸钾、硒氰酸钾、碳二硫代烷基酯、6-甲基-2-甲硫基-4-取代的3,4-二氢嘧啶-5-羧酸乙酯或（4-甲基-6-取代的2-硫酮-1,3,6-三氢嘧啶- 5-羧酸盐）。所有化合物都尽可能根据元素分析、光谱数据和替代合成方法进行阐明。
• REACTIONS WITH HYDRAZONOYL HALIDES XXIV^[1]: SYNTHESIS OF SOME NEW UNSYMMETRICAL AZINES AND DIHYDRO-1,3,4-THIADIAZOLES
  作者：Abdou O. Abdelhamid、Gaber S. Mohamed

  DOI：10.1080/10426509908031623

  日期：1999.9.1

  Abstract Unsymmetrical azines were synthesized from reaction of C-coumarinoyl-N-arylformohydrazonoyl bromide with different alkyl carbodithioates. In addition, reactions of hydrazonoyl halides with thioanilide and methyl dithioates were studied. The structures of newly synthesized compounds were confirmed by elemental analyses, spectroscopic tools, and alternative syntheses whenever possible.

  摘要 C-香豆素酰-N-芳基甲腙酰溴与不同的碳二硫代烷基酯反应合成了不对称吖嗪。此外，还研究了腙酰卤与硫代苯胺和二硫代甲酯的反应。新合成化合物的结构通过元素分析、光谱工具和替代合成尽可能得到确认。
• Reactions with Hydrazonoyl Halides XXX: Synthesis of Some 2,3-Dihydro-1,3,4-Thiadiazoles and Unsymmetrical Azines Containing Benzothiazole Moiety
  作者：Abdou O. Abdelhamid、Nora M. Rateb、Kamal M. Dawood

  DOI：10.1080/10426500008082403

  日期：2000.1.1

  to give 2,3-dihydro-1,3,4-thiadiazoles in good yields. In contrast, hydrazonoyl bromides react with each of phenylthiourea (19a), phenylthiosemicarbazide (19b), and benzoylthiosemicarbazide (19c) afforded 5-arylazothiazole 22–24(a-c) derivatives, respectively. Structures of the new compounds were elucidated on the basis of elemental analyses, spectral data, and alternative methods of synthesis whenever

  摘要 C-苯并噻唑酰-N-芳基腙酰溴化物 1a,b 与 2-噻唑基氰基亚甲基碳二硫代甲酯 (2)、碳二硫代烷基酯 8-10 和硫代氨基甲酸甲酯 14a-c 在三乙胺存在下反应，得到 2,3 -二氢-1,3,4-噻二唑，收率良好。相比之下，腙酰溴分别与苯基硫脲 (19a)、苯基氨基硫脲 (19b) 和苯甲酰氨基脲 (19c) 反应，分别得到 5-芳基偶氮噻唑 22-24(ac) 衍生物。新化合物的结构是在元素分析、光谱数据和其他可能的合成方法的基础上阐明的。
• Reactions with Hydrazonoyl Halides 40: Synthesis of Some New 1,3,4‐Thiadiazoles, Pyrrolo[3,4‐<i>c</i>]pyrazoles, Pyrazoles, and Pyrazolo[3,4‐<i>d</i>]pyridazines
  作者：Chahid Moustapha、Nadia A. Abdel‐Riheem、Abdou O. Abdelhamid

  DOI：10.1081/scc-200048444

  日期：2005.1

  Abstract Pyrazoles, pyrazolo[3,4‐d]pyridazines, pyrrolo[3,4‐d]pyrazole‐4,6‐diones, and 2,3‐dihydro‐1,3,4‐thiadiazoles were synthesized via reactions of hydrazonoyl bromide with each of (2E)‐3‐(dimethylamino)prop‐2‐enoyl]benzo[f]2H‐chromen‐3‐one, N‐arylmaleimides, and alkyl carbodithioates.

  摘要 通过腙酰溴反应合成了吡唑、吡唑并[3,4-d]哒嗪、吡咯并[3,4-d]吡唑-4,6-二酮和2,3-二氢-1,3,4-噻二唑。 (2E)-3-(二甲氨基)丙-2-烯酰基]苯并[f]2H-色烯-3-酮、N-芳基马来酰亚胺和烷基碳二硫代酸酯。