5-[(4-甲氧基苯基)甲基]-3-苯基-1,2,4-三嗪-6(1H)-硫酮 | 127525-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-[(4-甲氧基苯基)甲基]-3-苯基-1,2,4-三嗪-6(1H)-硫酮
• 中文别名: 甲基4-({(3aR,4R,5R,6aS)-5-羟基-4-[(1E,3S)-3-羟基辛-1-烯-1-基]-3,3a,4,5,6,6a-六氢环戊二烯并[b]吡咯-2-基}硫烷基)丁酸酯
• 英文名称: 5-p-methoxybenzyl-3-phenyl-1,2,4-triazin-6(1H)thione
• 英文别名: 1,2,4-Triazine-6(1H)-thione, 5-[(4-methoxyphenyl)methyl]-3-phenyl-；5-[(4-methoxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazine-6-thione
• CAS: 127525-51-3
• 化学式: C₁₇H₁₅N₃OS
• 分子量: 309.392
• InChiKey: SIHPUZFCVQGDDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[(4-甲氧基苯基)甲基]-3-苯基-1,2,4-三嗪-6(1H)-硫酮 在 三甲基氯硅烷 、 三氟甲磺酸 、 氨 、 六甲基二硅氮烷 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 5-(4-methoxybenzyl)-3-phenyl-1-β-D-ribofuranosyl-1,2,4-triazin-6(1H)-thione
  参考文献：
  名称：

  Synthesis of Some Novel N-Ribosyl-1,2,4-Triazin-6(1H)-/Ones or Thiones as Potential Antibacterial and Antifungal Chemotherapeutics

  摘要：

  Ribosylation of 3-aryt-5-benzyl(or substituted benzyl)- 1,2,4-triazin-6(1H)-/ones or thiones with 1-O-acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose gave the corresponding 3-aryl-5-benzyl(or substituted benzyl)-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-1,2,4-triazin-6(1H)-/ones or thiones. The structure of the new ribosides was confirmed chemically and spectroscapically.

  DOI：

  10.1081/ncn-200051902
• 作为产物：
  描述：

  5-[(4-甲氧基苯基)甲基]-3-苯基-1,2,4-三嗪-6(1H)-酮 在 吡啶 、 tetraphosphorus decasulfide 作用下， 生成 5-[(4-甲氧基苯基)甲基]-3-苯基-1,2,4-三嗪-6(1H)-硫酮
  参考文献：
  名称：

  Synthesis of Some Novel N-Ribosyl-1,2,4-Triazin-6(1H)-/Ones or Thiones as Potential Antibacterial and Antifungal Chemotherapeutics

  摘要：

  Ribosylation of 3-aryt-5-benzyl(or substituted benzyl)- 1,2,4-triazin-6(1H)-/ones or thiones with 1-O-acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose gave the corresponding 3-aryl-5-benzyl(or substituted benzyl)-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-1,2,4-triazin-6(1H)-/ones or thiones. The structure of the new ribosides was confirmed chemically and spectroscapically.

  DOI：

  10.1081/ncn-200051902

文献信息

• Synthesis of Some<i>N</i>-Galactosides of 3-Aryl-5-benzyl (or Substituted Benzyl)-1,2,4-triazin-6(1<i>H</i>)-/ones or Thiones of Expected Biological Activity
  作者：Abdel Kader Mansour、Mohga M. Eid、Nasser S. A. M. Khalil

  DOI：10.1081/ncn-120023275

  日期：2003.10

  The 1-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-3-aryl-5-benzyl (or substituted benzyl)-1,2,4-triazin-6(1H)-/ones or thiones were prepared via galactosidation of 3-aryl-5-benzyl (or substituted benzyl)-1,2,4-triazin-6(1H)-/ones or thiones with 2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl bromide. The structure of the new galactosyl derivatives was based on both spectroscopic and chemical

  1-（2,3,4,6-四-O-乙酰基-β-D-吡喃半乳糖基）-3-芳基-5-苄基（或取代的苄基）-1,2,4-三嗪-6（1H）通过对3-芳基-5-苄基（或取代的苄基）-1，2，4-三嗪-6（1H）进行半乳糖苷化反应，制得一酮或硫酮。一酮或硫酮与2,3,4,6-四酮-O-乙酰基-α-D-吡喃半乳糖基溴化物。新的半乳糖基衍生物的结构基于光谱和化学证据。
• Reaction of Some 1,2,4-Triazines with Acetobromoglucose
  作者：Mohga M. Eid、Sayed A. Abdel Hady、Hosny A. W. Ali

  DOI：10.1002/ardp.19903230413

  日期：——

  2,3,4,6‐Tetra‐O‐acetyl‐α‐D‐glucopyranosyl bromide (1) reacts with 5‐benzyl‐3‐phenyl‐1,2,4‐triazin‐6(1H)thiones 6a‐d and 4‐aryl‐6‐benzyl‐3‐thioxo‐2,3,4,5‐tetrahydro‐1,2,4‐triazin‐5‐ones 11a‐g to give the corresponding N‐glucosyl derivatives 7a‐d and 12a‐g, respectively. The structures of these glucosides were established by chemical and spectroscopic methods.

  2,3,4,6-四-O-乙酰-α-D-吡喃葡萄糖基溴(1)与5-苄基-3-苯基-1,2,4-三嗪-6(1H)硫酮6a-d和4-aryl-6-benzyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-ones 11a-g 得到相应的 N-葡萄糖基衍生物 7a-d 和 12a- g 分别。这些糖苷的结构是通过化学和光谱方法确定的。
• Synthesis and structure of [1,2]thiaphospholo[4,5-e][1,2,4]triazines
  作者：Yehia A Ibrahim、Azza M Kadry、Maher R Ibrahim、J.N Lisgarten、B.S Potter、R.A Palmer

  DOI：10.1016/s0040-4020(99)00830-3

  日期：1999.11

  The first syntheses of the novel [1,2]thiaphospholo[4,5-e][1,2,4]triazine ring system, exemplified by the derivatives 3a-c have been accomplished by the action of Lawesson's reagent on the 5-arylmethyl-1,2,4-triazin-6-ones 1a-c, their thiones 2a-c or the Mannich bases 4-6. The structure of these new thiaphospholotriazines was established mainly by NMR, and X-ray structural analysis. (C) 1999 Elsevier Science Ltd. All rights reserved.
• EID, MOHGA M.;ABDEL, HADY SAYED A.;ALI, HOSNY A. W., ARCH. PHARM., 323,(1990) N, C. 243-245
  作者：EID, MOHGA M.、ABDEL, HADY SAYED A.、ALI, HOSNY A. W.

  DOI：——

  日期：——
• Synthesis of Some Novel N-Ribosyl-1,2,4-Triazin-6(1H)-/Ones or Thiones as Potential Antibacterial and Antifungal Chemotherapeutics
  作者：Nasser Khalil

  DOI：10.1081/ncn-200051902

  日期：2005.2.1

  Ribosylation of 3-aryt-5-benzyl(or substituted benzyl)- 1,2,4-triazin-6(1H)-/ones or thiones with 1-O-acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose gave the corresponding 3-aryl-5-benzyl(or substituted benzyl)-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-1,2,4-triazin-6(1H)-/ones or thiones. The structure of the new ribosides was confirmed chemically and spectroscapically.