1-Benzoyl-2-methyl-thiosemicarbazid | 13281-42-0

• 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: 1-Benzoyl-2-methyl-thiosemicarbazid
• 英文别名: 1-Benzamido-1-methylthiourea
• CAS: 13281-42-0
• 化学式: C₉H₁₁N₃OS
• 分子量: 209.272
• InChiKey: KAMJDJAYBTUNSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  90.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzoyl-2-methyl-thiosemicarbazid 在 碳酸氢钠 作用下， 生成 2-甲基-5-苯基-2,4-二氢-[1,2,4]三唑-3-硫酮
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9
• 作为产物：
  描述：

  2-甲基氨基硫脲 、 苯甲酰氯 在 吡啶 作用下， 生成 1-Benzoyl-2-methyl-thiosemicarbazid
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9

文献信息

• The reaction of benzoyl isothiocyanate with hydrazine derivatives. Part II. Reaction with some alkyl hydrazones
  作者：G. J. Durant

  DOI：10.1039/j39670000952

  日期：——

  The reaction of benzoyl isothiocyanate with 1-alkyl-2-isopropylidenehydrazines leads to the formation of 1,3,4,6-oxatriazepine-5-thione derivatives rather than the open-chain benzoyl thiosemicarbazones

  苯甲酰基异硫氰酸酯与1-烷基-2-异亚丙基肼的反应导致形成1,3,4,6-氧杂氮杂卓-5-硫酮衍生物，而不是开链的苯甲酰基硫代半咔唑酮
• The reaction of benzoyl isothiocyanate with hydrazine derivatives. Part I. Reaction with some alkyl hydrazines
  作者：G. J. Durant

  DOI：10.1039/j39670000092

  日期：——

  It has been found that the reaction of benzoyl isothiocyanate with alkyl hydrazines provides a useful method for the synthesis of 1-alkyl-3-phenyl-Δ3-1,2,4-triazoline-5-thiones. Methyl hydrazine and benzyl hydrazine formed additional products as a result of a competing benzoylation reaction. The identities of the products from these reactions have been proved by independent syntheses.

  已经发现，异硫氰酸苯甲酰酯与烷基肼反应提供1-烷基-3-苯基-Δ的合成的有用方法3 -1,2,4-三唑啉-5-硫酮。由于竞争性苯甲酰化反应，甲基肼和苄基肼形成了另外的产物。这些反应产物的身份已通过独立的合成方法证明。