2-amino-4-(4-propan-2-ylphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile | 77198-42-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-amino-4-(4-propan-2-ylphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
• CAS: 77198-42-6
• 化学式: C₂₂H₂₂N₄
• 分子量: 342.443
• InChiKey: XDWWZPIRAZJHNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  97.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己酮 、 丙二腈 以60%的产率得到
  参考文献：
  名称：

  SHARANINA L. G.; VAJNERT K.; KONOVKIN A. I.; BASKAKOV YU. A.; VSEVOLOZHSK+, DONETSK. YH-T, DONETSK, 1979, 22 S., BIBLIOGR. 23 NAZV. (RUKOPIS DEP. V O+

  摘要：

  DOI：

文献信息

• Fabrication and characterization of mesoporous yolk–shell nanocomposites as an effective reusable heterogeneous base catalyst for the synthesis of ortho-aminocarbonitrile tetrahydronaphthalenes
  作者：Mahsa Khorasani、Hossein Naeimi

  DOI：10.1039/d3ra02740f

  日期：——

  Mesoporous yolk–shell nanocomposites (MYSNs) were loaded with a mobile CaMg core inside the silica shell. CaMg@MYS nanocomposites have been effectively prepared inside the inner cavity of a novel structure that consists of hollow mesoporous silica spheres. Tetraethyl orthosilicate (TEOS) and an amount of cetyltrimethylammonium bromide (CTAB) are coated on the carbon spheres used as a hard template

  介孔蛋黄壳纳米复合材料（MYSN）在二氧化硅壳内负载有移动的 CaMg 核。CaMg@MYS 纳米复合材料已在由中空介孔二氧化硅球组成的新颖结构的内腔内有效制备。原硅酸四乙酯（TEOS）和一定量的十六烷基三甲基溴化铵（CTAB）被涂覆在碳球上，在多步合成过程中用作硬模板。在该方法中，在温和条件下，目标产物的产率高达 87-96%，响应时间在 10-20 分钟之间。CaMg@MYS 催化剂在多组分工艺中显示出作为高效且可重复使用的催化剂的前景。与金属氧化物纳米结构相比，CaMg@MYS 多蛋黄球表现出较高的催化性能和新颖性的重要因素。应用1 H NMR和熔点技术。此外，为了表征所制备的催化剂，还应用了 FT-IR、XRD、FE-SEM、EDS、元素图谱和 HR-TEM 技术。
• Sharanin, Yu. A.; Baskakov, Yu. A.; Abramenko, Yu. T., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 1870 - 1879
  作者：Sharanin, Yu. A.、Baskakov, Yu. A.、Abramenko, Yu. T.、Putsykin, Yu. G.、Vasil'ev, A. F.、Nazarova, E.B.

  DOI：——

  日期：——
• SHARANIN YU. A.; BASKAKOV YU. A.; ABRAMENKO YU. T.; PUTSYKIN YU. G.; VASI+, ZH. ORGAN. XIMII, 1980, 16, HO 10, 2192-2204
  作者：SHARANIN YU. A.、 BASKAKOV YU. A.、 ABRAMENKO YU. T.、 PUTSYKIN YU. G.、 VASI+

  DOI：——

  日期：——
• Sonochemical synthesis of ortho‐aminocarbonitrile tetrahydronaphthalenes using mesoporous yolk–shell nanocomposites as a recyclable heterogeneous catalyst and evaluation of their in vitro antimicrobial activities
  作者：Mahsa Khorasani、Hossein Naeimi、Zohreh Zahraei

  DOI：10.1002/aoc.7305

  日期：2024.1

  A mobile Ca/Mg core was formed inside the silica shell of mesoporous yolk–shell nanocomposites (CaO‐MgO@SiO2). This new structure of hollow mesoporous silica spheres has been successfully synthesized inside the inner cavity. The used carbon spheres as a rigid template in the multi‐step synthetic process are covered with tetraethyl orthosilicate (TEOS) and a mixture of cetyltrimethylammonium bromide (CTAB). Then, the tetrahydronaphthalenes were synergistically synthesized using CaO‐MgO@SiO2 nanocomposites as a nanocatalyst under ultrasound irradiation. By this technique, the required items could be produced with a high to excellent efficiency between 90% and 98% and the reaction times of 5–15 min. As an effective and reusable catalyst in multicomponent processes, the CaO‐MgO@SiO2 catalyst exhibits high reactivity. The FT‐IR, 1H NMR, and melting point methods were used to identify all of the products. Moreover, FT‐IR, XRD, FE‐SEM, EDS, Mapping, and HR‐TEM techniques are used to characterize the prepared catalysts. Also, in vitro antibacterial activity of some synthetic compounds was evaluated.