1-(cyclohexylbuta-1,3-diyn-1-yl)-4-nitrobenzene | 1374219-38-1

• 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: 1-(cyclohexylbuta-1,3-diyn-1-yl)-4-nitrobenzene
• 英文别名: 1-(4-Cyclohexylbuta-1,3-diynyl)-4-nitrobenzene
• CAS: 1374219-38-1
• 化学式: C₁₆H₁₅NO₂
• 分子量: 253.301
• InChiKey: HZWKJTQKAHTBCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(cyclohexylbuta-1,3-diyn-1-yl)-4-nitrobenzene 在 肼 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 20.0h， 以94%的产率得到3-cyclohexyl-5-(4-nitrobenzyl)-1H-pyrazole
  参考文献：
  名称：

  Synthesis of 3,5-Disubstituted Pyrazoles via Cope-Type Hydroamination of 1,3-Dialkynes

  摘要：

  An efficient method for the synthesis of 3,5-disubstituted pyrazoles is described. The reactions of 1,3-dialkynes with hydrazine proceeded smoothly in dimethyl sulfoxide under mild reaction conditions to produce 3,5-disubstituted pyrazoles in satisfactory to excellent yields. A one-pot procedure of the transformation has been developed.

  DOI：

  10.1021/jo302732v
• 作为产物：
  描述：

  环己基乙炔 、 5-[(3-羧基-5-甲基-4-羰基-2,5-环己二烯-1-亚基)[4-(二乙胺基)苯基]甲基]-3-甲基水杨基<邻羟苄基>酸 在 copper(l) iodide 、 potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 乙醇 为溶剂， 以75%的产率得到1-(cyclohexylbuta-1,3-diyn-1-yl)-4-nitrobenzene
  参考文献：
  名称：

  Synthesis of 3,5-Disubstituted Isoxazoles via Cope-Type Hydroamination of 1,3-Dialkynes

  摘要：

  An efficient method for the synthesis of 3,5-disubstituted Isoxazoles is described. The reactions of 1,3-dialkynes with hydroxylamine proceeded smoothly in DMSO under mild reaction conditions to produce 3,5-disubstituted isoxazoles In satisfactory to excellent yields.

  DOI：

  10.1021/ol300872e

文献信息

• Synthesis of 3,5-Disubstituted Isoxazoles via Cope-Type Hydroamination of 1,3-Dialkynes
  作者：Liangguang Wang、Xiaoqiang Yu、Xiujuan Feng、Ming Bao

  DOI：10.1021/ol300872e

  日期：2012.5.4

  An efficient method for the synthesis of 3,5-disubstituted Isoxazoles is described. The reactions of 1,3-dialkynes with hydroxylamine proceeded smoothly in DMSO under mild reaction conditions to produce 3,5-disubstituted isoxazoles In satisfactory to excellent yields.
• Synthesis of 3,5-Disubstituted Pyrazoles via Cope-Type Hydroamination of 1,3-Dialkynes
  作者：Liangguang Wang、Xiaoqiang Yu、Xiujuan Feng、Ming Bao

  DOI：10.1021/jo302732v

  日期：2013.2.15

  An efficient method for the synthesis of 3,5-disubstituted pyrazoles is described. The reactions of 1,3-dialkynes with hydrazine proceeded smoothly in dimethyl sulfoxide under mild reaction conditions to produce 3,5-disubstituted pyrazoles in satisfactory to excellent yields. A one-pot procedure of the transformation has been developed.