N-[(4-bromophenyl)carbamoylamino]formamide | 890342-21-9

• 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: N-[(4-bromophenyl)carbamoylamino]formamide
• CAS: 890342-21-9
• 化学式: C₈H₈BrN₃O₂
• 分子量: 258.074
• InChiKey: QSYARTUUTQEDBK-UHFFFAOYSA-N

物化性质

• 密度：
  1.679±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[(4-bromophenyl)carbamoylamino]formamide 在 氢氧化钾 、 18-冠醚-6 、 potassium hydride 作用下， 以 正丁醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Pd-catalyzed aminations of aryl triazolones: Effective synthesis of hydroxyitraconazole enantiomers

  摘要：

  A palladium-catalyzed amination of triazolone 3 by piperazine 2 was used as the key step in an efficient synthesis of highly enantiomerically-pure hydroxyitraconazole isomers. Compound 2 (>99%ee) was prepared by reaction of an achiral phenol precursor with the corresponding dioxolyl tosylate (>99% ee), and 3 was made by alkylation of 6 with 7 (>99%ee). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01493-2
• 作为产物：
  描述：

  4-溴异氰酸苯酯 、 甲酰肼 以 正丁醇 为溶剂， 生成 N-[(4-bromophenyl)carbamoylamino]formamide
  参考文献：
  名称：

  Pd-catalyzed aminations of aryl triazolones: Effective synthesis of hydroxyitraconazole enantiomers

  摘要：

  A palladium-catalyzed amination of triazolone 3 by piperazine 2 was used as the key step in an efficient synthesis of highly enantiomerically-pure hydroxyitraconazole isomers. Compound 2 (>99%ee) was prepared by reaction of an achiral phenol precursor with the corresponding dioxolyl tosylate (>99% ee), and 3 was made by alkylation of 6 with 7 (>99%ee). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01493-2

文献信息

• Pd-catalyzed aminations of aryl triazolones: Effective synthesis of hydroxyitraconazole enantiomers
  作者：Gerald J. Tanoury、Chris H. Senanayake、Robert Hett、Amy M. Kuhn、Donald W. Kessler、Stephen A. Wald

  DOI：10.1016/s0040-4039(98)01493-2

  日期：1998.9

  A palladium-catalyzed amination of triazolone 3 by piperazine 2 was used as the key step in an efficient synthesis of highly enantiomerically-pure hydroxyitraconazole isomers. Compound 2 (>99%ee) was prepared by reaction of an achiral phenol precursor with the corresponding dioxolyl tosylate (>99% ee), and 3 was made by alkylation of 6 with 7 (>99%ee). (C) 1998 Elsevier Science Ltd. All rights reserved.