3-methyl-4-nitrophenyl-S-thiocarbamate | 83086-55-9

• 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: 3-methyl-4-nitrophenyl-S-thiocarbamate
• 英文别名: S-(3-methyl-4-nitrophenyl)dimethylcarbamothioate；S-(3-methyl-4-nitrophenyl) N,N-dimethylcarbamothioate
• CAS: 83086-55-9
• 化学式: C₁₀H₁₂N₂O₃S
• 分子量: 240.283
• InChiKey: COOJKUHBNVUPRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methyl-4-nitrophenyl-S-thiocarbamate 在 sodium hydroxide 、 盐酸 作用下， 生成 3-甲基-4-硝基苯硫醇
  参考文献：
  名称：

  A Comparison of Commercial Microwave Reactors for Scale-Up within Process Chemistry

  摘要：

  Seven commercially available microwave reactors designed for limited scale-up have been investigated using a highly reliable and robust reaction (the Newman-Kwart rearrangement). The use of a single reaction has enabled the comparison to be made across the range of different reactor types and scales. Overall, all reactors gave reliable scale-up from small scale, and performance equivalent to one another on large scale. A more detailed comparison between them is given in the concluding section.

  DOI：

  10.1021/op700186z
• 作为产物：
  描述：

  4-硝基间甲苯酚 在 三乙烯二胺 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基乙酰胺 为溶剂， 反应 2.83h， 生成 3-methyl-4-nitrophenyl-S-thiocarbamate
  参考文献：
  名称：

  A Comparison of Commercial Microwave Reactors for Scale-Up within Process Chemistry

  摘要：

  Seven commercially available microwave reactors designed for limited scale-up have been investigated using a highly reliable and robust reaction (the Newman-Kwart rearrangement). The use of a single reaction has enabled the comparison to be made across the range of different reactor types and scales. Overall, all reactors gave reliable scale-up from small scale, and performance equivalent to one another on large scale. A more detailed comparison between them is given in the concluding section.

  DOI：

  10.1021/op700186z

文献信息

• (2-Aryl-4-phenylthioalkyl-1,3-dioxolan-2-ylmethyl)azole derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04490540A1

  公开（公告）日：1984-12-25

  The present invention relates to a series of (2-aryl-4-phenylthioalkyl-1,3-dioxolan-2-ylmethyl)azole derivatives which are useful as antifungal and antineoplastic agents.

  这项发明涉及一系列(2-芳基-4-苯基硫代烷基-1,3-二氧杂环戊烷-2-基甲基)唑类衍生物，可用作抗真菌和抗肿瘤药物。
• Scaling-Out Pharmaceutical Reactions in an Automated Stop-Flow Microwave Reactor
  作者：Jonathan D. Moseley、Emily K. Woodman

  DOI：10.1021/op800091p

  日期：2008.9.19

  Six pharmaceutically relevant reactions were assessed for scale-out in an automated stop-flow microwave reactor. Daily throughputs of between 50 and 250 g were achieved at typical reaction concentrations; for more concentrated reactions, or with 24 h processing, productivity of 0.5-1.5 kg per day was achievable. This study confirms that the stop-flow approach in combination with rapid microwave heating can be equivalent to conventional continuous flow technology with comparable productivities.
• Novel (2-aryl-4-phenylthioalkyl-1,3-dioxolan-2-yl-methyl)azole derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0052905B1

  公开（公告）日：1984-10-03
• US4490540A
  申请人：——

  公开号：US4490540A

  公开（公告）日：1984-12-25