1,4-Bis(2-cyano-2-methylpropyl)benzene | 69774-41-0

• 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: 1,4-Bis(2-cyano-2-methylpropyl)benzene
• 英文别名: 1,4-bis(2-methyl-2-cyanopropyl)benzene；3-[4-(2-cyano-2-methylpropyl)phenyl]-2,2-dimethylpropanenitrile
• CAS: 69774-41-0
• 化学式: C₁₆H₂₀N₂
• 分子量: 240.348
• InChiKey: QQSXGORAEKHQRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-Bis(2-cyano-2-methylpropyl)benzene 在 二异丁基氢化铝 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 以5.28 g (68%)的产率得到1,4-bis(2,2-dimethyl-3-aminopropyl)benzene
  参考文献：
  名称：

  Bis(2-methyl-2-cyanopropyl) aromatics

  摘要：

  具有以下结构的芳香族-脂肪族二腈##STR1##，其中Ar是芳基或取代芳基，可用于制备相应的胺，这些胺是制备热稳定、刚性聚酰胺的中间体。

  公开号：

  US04130579A1
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 异丁腈 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 生成 1,4-Bis(2-cyano-2-methylpropyl)benzene
  参考文献：
  名称：

  Bis(2-methyl-2-cyanopropyl) aromatics

  摘要：

  具有以下结构的芳香族-脂肪族二腈##STR1##，其中Ar是芳基或取代芳基，可用于制备相应的胺，这些胺是制备热稳定、刚性聚酰胺的中间体。

  公开号：

  US04130579A1

文献信息

• A Cyclic Vicinal Bis(tetraketone) and Structural Investigations of Formoins
  作者：Matthias Peter、Rolf Gleiter、Frank Rominger、Thomas Oeser

  DOI：10.1002/ejoc.200400157

  日期：2004.8

  Investigations of simple formoins such as 2,5-bis(1,1-dimethyl-2-phenylethyl)-2,4-dihydroxyfuran-3(2H)-one (17), benzoylformoin (18), p-toluoylformoin (19), pivaloylformoin (20), and the 2,4-dihydroxy-2,5-bis(heterocycl-2-yl)furan-3-ones 21−23 (heterocycle = furan, thiophene, selenophene) by NMR spectroscopy in DMSO showed the dihydroxyfuranone skeleton and not an enediol structure. The formoin 17 was oxidized

  2,5-双(1,1-二甲基-2-苯乙基)-2,4-二羟基呋喃-3(2H)-one (17)、苯甲酰甲醛 (18)、对甲苯甲酰甲醛 (19) 等简单甲醛的研究、新戊酰福尔默 (20) 和 2,4-二羟基-2,5-双（杂环-2-基）呋喃-3-酮 21-23（杂环 = 呋喃、噻吩、硒吩）通过 DMSO 中的 NMR 光谱显示二羟基呋喃酮骨架而不是烯二醇结构。甲醛 17 被氧化成相应的四酮 10。 1,4-双 (2,2 二甲基-3,4-二氧丁基) 苯 (27) 的分子间双安息香缩合以低收率提供了双 (甲醛) 29,这可以被氧化以提供 2,2,2',2',7,7,7',7'-octamethyl[8.8]paracyclophan-3,3',4,4'5,5'6,6' -辛酮 (9)。报告了 17 和 29 的分子结构、10 的一水合物 (30) 以及 9 (31) 的二水合物。(© Wiley-VCH
• Bis(aminoneopentyl) aromatics
  申请人：E. I. Du Pont De Nemours and Company

  公开号：US04564705A1

  公开（公告）日：1986-01-14

  Aromatic-aliphatic diamines of the formula ##STR1## in which Ar is an arylene or substituted arylene are useful in preparing thermally stable, rigid, polyamides, polyureas and polyurethanes having a repeating unit of the formula ##STR2## in which Ar is arylene or substituted arylene, X is --NH-- or --O--, n is 0 or 1, and R is a divalent organic radical.

  具有以下结构的芳香-脂肪族二胺在制备具有重复单元结构的热稳定、坚硬的聚酰胺、聚脲和聚氨酯中非常有用：其中Ar是芳基或取代芳基，Ar是芳基或取代芳基，X是--NH--或--O--，n为0或1，R为二价有机基。
• Bis(aminoneopentyl) aromatics and polyamides derived therefrom
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04451642A1

  公开（公告）日：1984-05-29

  Aromatic-aliphatic diamines of the formula ##STR1## in which Ar is an arylene or substituted arylene are useful in preparing thermally stable, rigid, polyamides, polyureas and polyurethanes having a repeating unit of the formula ##STR2## in which Ar is arylene or substituted arylene, X is --NH-- or --O--, n is 0 or 1, and R is a divalent organic radical. Polymers of this invention can be melt-spun into thermally stable fibers.

  式为##STR1##的芳香-脂肪族二胺，其中Ar是芳基或取代芳基，可用于制备具有重复单元式##STR2##的热稳定、硬性聚酰胺、聚氨酯和聚氨醚，其中Ar是芳基或取代芳基，X是--NH--或--O--，n为0或1，R为二价有机基团。本发明的聚合物可熔融纺成热稳定纤维。
• Synthesis and Conformational Analysis of 3,3,12,12-Tetramethyl[4.4]paracyclophane-2,13-dione
  作者：Yoshimasa Fukazawa、Hiroaki Kitayama、Kazu Yasuhara、Kousaku Yoshimura、Shuji Usui

  DOI：10.1021/jo00111a030

  日期：1995.3

  Three [4.4]paracyclophanes (2-4) were synthesized by radical cyclization using the photoinduced S(RN)1 reaction. The structure of the most stable conformer of 4 was ascertained by means of X-ray crystallographic analysis, molecular mechanics calculations, and variable-temperature NMR spectra. The energy barriers to rotation of the two benzene rings in these compounds were obtained from an analysis of the temperature-dependent signals due to the 1,3-dioxolene and aromatic ring protons. Molecular mechanics calculations predicted three stable conformers for 4. Actually, three sets of signals were observed in its low-temperature H-1 NMR spectrum. An experimental technique was used in which crystals were dissolved in precooled solvent. In this manner, NMR signals were recorded due to the single conformer found in its crystalline state, which are identical to the major set of signals present in the original spectrum. The structures due to the other two sets of signals of 4 can;be successfully assigned by comparison of the low temperature H-1 NMR spectra of the two compounds (2 and 3). The interconversion pathways among these conformers were characterized.
• FRAZER, A. H.;HARRIS, J. F. ,, JR.
  作者：FRAZER, A. H.、HARRIS, J. F. ,, JR.

  DOI：——

  日期：——