1-(deca-1,3-diyn-1-yl)-4-nitrobenzene | 1374219-37-0

• 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-(deca-1,3-diyn-1-yl)-4-nitrobenzene
• 英文别名: 1-Deca-1,3-diynyl-4-nitrobenzene
• CAS: 1374219-37-0
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: YIUPDZLNNRKGOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• 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-(deca-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89%的产率得到3-hexyl-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：

  1-辛炔 、 1-乙炔基-4-硝基苯 在 氧气 作用下， 以 甲苯 为溶剂， 100.0 ℃ 、500.01 kPa 条件下， 反应 8.0h， 以51%的产率得到1-(deca-1,3-diyn-1-yl)-4-nitrobenzene
  参考文献：
  名称：

  Facile Synthesis of Surface-Clean Monodispersed CuOx Nanoparticles and Their Catalytic Properties for Oxidative Coupling of Alkynes

  摘要：

  We show a facile method to prepare surface-clean monodispersed small and stable CuOx nanoparticles with controllable average sizes from below 1 nm up to similar to 5 nm without using bulk capping agent. Structural and surface characterizations show that the chemical states of CuOx nanoparticles and their interactions with O-2 are dependent on the particle size. To show their relevance to catalysis, the well-defined monodispersed CuOx nanoparticles have been used for oxidative coupling of alkynes. While the generally used CuCl catalysts presents a reaction induction period and agglomerate into CuOx nanoparticles during the reaction, the induction period disappears when monodispersed CuOx nanoparticles (similar to 2 nm) were used as catalyst. Supported CuOx nanoparticles on TiO2 behave in the same way as monodispersed CuOx nanoparticles. Kinetic, spectroscopic, and isotopic studies show that O-2 activation is the rate-controlling step and that the nature of the oxygen species formed on supported CuOx nanoparticles is dependent on the size of CuOx and determine the catalytic properties for oxidative coupling of alkynes.

  DOI：

  10.1021/acscatal.5b02935

文献信息

• Synthesis of 1,3,5-Trisubstituted Pyrazoles by the Cope-Type Hydroamination of 1,3-Dialkynes with Alkylhydrazines
  作者：Xiaoqiang Yu、Ming Bao、Nan Huang、Xiujuan Feng、Yoshinori Yamamoto

  DOI：10.1055/s-0034-1378660

  日期：——

  was developed. The reaction of 1,3-dialkynes with alkylhydrazines smoothly proceeded in dimethyl sulfoxide under suitable heating conditions to produce 1,3,5-trisubstituted pyrazoles in satisfactory to excellent yields. An efficient method to synthesize 1,3,5-trisubstituted pyrazoles was developed. The reaction of 1,3-dialkynes with alkylhydrazines smoothly proceeded in dimethyl sulfoxide under suitable

  摘要 开发了一种有效的合成1,3,5-三取代吡唑的方法。1,3-二炔与烷基肼的反应在适当的加热条件下在二甲基亚砜中顺利进行，以令人满意的产率获得了1,3,5-三取代的吡唑。 开发了一种有效的合成1,3,5-三取代吡唑的方法。1,3-二炔与烷基肼的反应在适当的加热条件下在二甲基亚砜中顺利进行，以令人满意的产率获得了1,3,5-三取代的吡唑。
• 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.