carboxymethyl 2-furandithiocarboxylate | 38204-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: carboxymethyl 2-furandithiocarboxylate
• 英文别名: carboxymethyl-2-furandithioate；carboxymethyl-2-furadithioate；(furan-2-carbothioylsulfanyl)-acetic acid；(furan-2-thiocarbonylmercapto)-acetic acid；(Furan-2-thiocarbonylmercapto)-essigsaeure；Furan-dithiocarbonsaeure-(2)-(carboxy-methylester)；Carboxymethyl-2-furandithioate；2-(furan-2-carbothioylsulfanyl)acetic acid
• CAS: 38204-39-6
• 化学式: C₇H₆O₃S₂
• 分子量: 202.255
• InChiKey: YTXGQZWWANJZPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  130-132 °C(Solv: benzene (71-43-2))
• 沸点：
  358.7±48.0 °C(Predicted)
• 密度：
  1.479±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  carboxymethyl 2-furandithiocarboxylate 、 苯甲酰肼 在 sodium hydroxide 作用下， 反应 2.0h， 生成 N-benzoyl-N'-2-furanthiocarbohydrazide
  参考文献：
  名称：

  Singh; Kushawaha, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2000, vol. 39, # 10, p. 1070 - 1073

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 在 水 作用下， 生成 carboxymethyl 2-furandithiocarboxylate
  参考文献：
  名称：

  Accelerator for rubber vulcanization

  摘要：

  公开号：

  US01939692A1

文献信息

• A new synthesis of thiazoles from tosylmethylisocyanide and carboxymethyl dithioates
  作者：O.H. Oldenziel、A.M. van Leusen

  DOI：10.1016/s0040-4039(01)84931-5

  日期：1972.1
• Jensen; Pedersen, Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1087,1089
  作者：Jensen、Pedersen

  DOI：——

  日期：——
• Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1124 - 1129
  作者：Jensen,K.A.、Pedersen,C.

  DOI：——

  日期：——
• Spectroscopic studies of N-salicyl-N′-2-furanthiocarboxy hydrazine and its 3d metal complexes, new potential antitumour agents
  作者：Seema Agrawal、N.K. Singh

  DOI：10.1016/0584-8539(86)80046-0

  日期：1986.1
• Synthesis, structure, and antitumor activity of N-salicyloyl-N'-(2-furylthiocarbonyl)hydrazine and its copper(II) complex
  作者：Seema Agrawal、Nand K. Singh、Ram C. Aggarwal、Ajit Sodhi、Priti Tandon

  DOI：10.1021/jm00152a006

  日期：1986.2

  N-Salicyloyl-N'-(2-furylthiocarbonyl)hydrazine (H2sfth) and its Cu(II) complex [Cu(sfth)] were prepared and characterized by physicochemical studies. The IR and ESR spectral studies imply dibasic tetradentate behavior of the ligand bonding through "thiolo" sulfur, enolic oxygen, and hydrazinic nitrogens in a polymeric structure. The electronic spectrum of the complex indicates a square-planar geometry around Cu(II). Maximum antitumor activity was observed when 25 mg/kg dose levels of H2sfth and Cu(sfth) were injected intraperitoneally in mice bearing either solid fibrosarcoma or ascites Dalton's lymphoma. However, H2sfth appeared to possess better antitumor activity as demonstrated by higher T/C (percent) values than those observed for Cu(sfth). The appearance of lymphocytes, leukocytes, and macrophages within the tumor mass 2-6 days after treatment are indicative of involvement of the host's immune system.