N-(2-bromophenyl)-N'-butylurea | 495386-38-4

• 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: N-(2-bromophenyl)-N'-butylurea
• 英文别名: 1-(2-bromophenyl)-3-butylurea
• CAS: 495386-38-4
• 化学式: C₁₁H₁₅BrN₂O
• mdl: MFCD02607240
• 分子量: 271.157
• InChiKey: YSOMNIPCVWHNOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tetraethyl ammoniumMo(CO)5Cl 、 N-(2-bromophenyl)-N'-butylurea 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 3-butylquinazoline-2,4(1H,3H)-dione
  参考文献：
  名称：

  Molybdenum-mediated synthesis of quinazolin-4(3H)-ones via cyclocarbonylation using microwave irradiation

  摘要：

  A new, efficient and practical synthesis of quinazolin-4(3H)-ones is reported via molybdenum-mediated cyclocarbonylation using microwave irradiation. These methods allow access to a wide range of quinazolin-4(314)-ones in reasonable yields without the need for gaseous carbon monoxide and palladium catalysts. A range of reactions illustrating the wide scope of this chemistry was carried out and all proceeded in reasonable yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.052
• 作为产物：
  描述：

  异氰酸2-溴苯酯 、 正丁胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 N-(2-bromophenyl)-N'-butylurea
  参考文献：
  名称：

  Molybdenum-mediated synthesis of quinazolin-4(3H)-ones via cyclocarbonylation using microwave irradiation

  摘要：

  A new, efficient and practical synthesis of quinazolin-4(3H)-ones is reported via molybdenum-mediated cyclocarbonylation using microwave irradiation. These methods allow access to a wide range of quinazolin-4(314)-ones in reasonable yields without the need for gaseous carbon monoxide and palladium catalysts. A range of reactions illustrating the wide scope of this chemistry was carried out and all proceeded in reasonable yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.052

文献信息

• Microwave-assisted palladium-catalysed isonitrile insertion in 2-bromophenylureas for efficient synthesis of 4-substituted imino 4H-benzo[d][1,3]oxazin-2-amines
  作者：Garima Pandey、Sanjay Batra

  DOI：10.1039/c5ra03062e

  日期：——

  A general route to the synthesis of 4-substituted imino 4H-benzo[d][1,3]oxazin-2-amines via palladium-catalysed isonitrile insertion in 2-bromophenylureas succeeded by a C–O cross-coupling of the intermediate imidoylpalladium species under microwave irradiation is reported.

  通过钯在2-溴苯基脲中催化异腈插入合成4-取代的亚氨基4 H-苯并[ d ] [1,3]恶嗪-2-胺的一般途径是中间体的C–O交叉偶联据报道在微波辐射下的亚氨基钯基物种。