2-(1-Oxo-1-phenylbutan-2-yl)propanedinitrile | 312307-36-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1-Oxo-1-phenylbutan-2-yl)propanedinitrile
• CAS: 312307-36-1
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: IRTNQHXUFPFMIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-Oxo-1-phenylbutan-2-yl)propanedinitrile 在 三氟乙酸 作用下， 反应 1.0h， 以82%的产率得到2-Amino-4-ethyl-5-phenyl-furan-3-carbonitrile
  参考文献：
  名称：

  Acid-mediated Cyclization of 3-Benzoyl-2-cyanobutyronitrile to 2-Amino-4-methyl-5-phenylfuran-3-carbonitrile

  摘要：

  Cyclization of 3-benzoyl-2-cyanobutyronitrile to 2-amino-4-methyl-5-phenylfuran-3-carbonitrile was effected under acidic conditions, rather than the basic conditions previously reported. Since treatment with trifluoroacetic acid (TFA) at room temperature is very mild, 2-amino-4-methyl-5-phenylfuran-3-carbonitriles containing various functional groups can be accessed via this route.

  DOI：

  10.3987/com-03-s(p)13
• 作为产物：
  描述：

  苯丁酮 在 溴 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 2-(1-Oxo-1-phenylbutan-2-yl)propanedinitrile
  参考文献：
  名称：

  Acid-mediated Cyclization of 3-Benzoyl-2-cyanobutyronitrile to 2-Amino-4-methyl-5-phenylfuran-3-carbonitrile

  摘要：

  Cyclization of 3-benzoyl-2-cyanobutyronitrile to 2-amino-4-methyl-5-phenylfuran-3-carbonitrile was effected under acidic conditions, rather than the basic conditions previously reported. Since treatment with trifluoroacetic acid (TFA) at room temperature is very mild, 2-amino-4-methyl-5-phenylfuran-3-carbonitriles containing various functional groups can be accessed via this route.

  DOI：

  10.3987/com-03-s(p)13

文献信息

• Benzothiazolines as radical transfer reagents: hydroalkylation and hydroacylation of alkenes by radical generation under photoirradiation conditions
  作者：Tatsuhiro Uchikura、Kaworuko Moriyama、Mitsuhiro Toda、Toshiki Mouri、Ignacio Ibáñez、Takahiko Akiyama

  DOI：10.1039/c9cc05336k

  日期：——

  Novel radical transfer reagents under photoirradiation conditions were developed by the use of benzothiazoline derivatives. These reagents enabled both hydroalkylation and hydroacylation of alkenes under neutral conditions at ambient temperature without any toxic reagents or an excess amount of metals. A mechanistic study was carried out to elucidate the radical process.

  通过使用苯并噻唑啉衍生物开发了在光辐照条件下的新型自由基转移试剂。这些试剂能够在环境温度下在中性条件下进行烯烃的加氢烷基化和加氢酰化，而无需使用任何有毒的试剂或过量的金属。进行了机理研究以阐明基本过程。
• Acid-mediated Cyclization of 3-Benzoyl-2-cyanobutyronitrile to 2-Amino-4-methyl-5-phenylfuran-3-carbonitrile
  作者：Susumu Watanuki、Shuichi Sakamoto、Hironori Harada、Kazumi Kikuchi、Takahiro Kuramochi、Ken-ichi Kawaguchi、Toshio Okazaki、Shin-ichi Tsukamoto

  DOI：10.3987/com-03-s(p)13

  日期：——

  Cyclization of 3-benzoyl-2-cyanobutyronitrile to 2-amino-4-methyl-5-phenylfuran-3-carbonitrile was effected under acidic conditions, rather than the basic conditions previously reported. Since treatment with trifluoroacetic acid (TFA) at room temperature is very mild, 2-amino-4-methyl-5-phenylfuran-3-carbonitriles containing various functional groups can be accessed via this route.