1,5-dipropionyl-2,3,4,6-tetramethylbenzene | 69187-00-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-dipropionyl-2,3,4,6-tetramethylbenzene
• 英文别名: 1-(2,3,4,6-tetramethyl-5-propanoylphenyl)propan-1-one
• CAS: 69187-00-4
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: AOMXUAXDHDRNEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  391.9±30.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,5-dipropionyl-2,3,4,6-tetramethylbenzene 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays

  摘要：

  Bis-benzocyclobutenols are synthetically important intermediates, and their structures have been established for the first time. These unique molecular systems allow investigation of the hydrogen bond-mediated aggregation of diols with rigid disposition of the hydroxyl groups on both sides of a flat arene core, namely bis-benzocyclobutene. The syn-diols la and 2a were found to assemble via O-H center dot center dot center dot O hydrogen bonds between the hydroxyl groups into dimers, which may be termed "supramolecular cyclophanes". However, the analogous diols that are sterically encumbered by ethyl and phenyl groups were found to aggregate via adoption of tetrameric (syn-2c) or water-expanded dimeric (syn-2b) supramolecular synthons. The sterically un-hindered anti diols were found to self-assemble via helical supramolecular synthon in contrast to the sterically encumbered ones; the latter were found to display preference to undergo cyclic tetrameric aggregation. The results thus point to intriguing possibilities in the adoption of supramolecular synthons when a given diol is constrained by the obligation to exploit two or more functional groups of the same kind.

  DOI：

  10.1021/cg400791a
• 作为产物：
  描述：

  1-benzoyl-2,3,4,6-tetramethylbenzene 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 反应 29.0h， 生成 1,5-dipropionyl-2,3,4,6-tetramethylbenzene
  参考文献：
  名称：

  酰基多甲基苯在亲电取代中的位置反应性

  摘要：

  乙酰基五甲基苯 (APMB)、1-乙酰基-2,3,4,6-四甲基苯 (ATMB) 和 1-苯甲酰基-2,3,4,6-四甲基苯 (BTMB) 的 Friedel-Crafts 酰化、溴化、氘化和硝化） 和...

  DOI：

  10.1246/bcsj.67.757

文献信息

• The Synthesis of Several Dipivaloylpolymethylbenzenes
  作者：Hitomi Suzuki、Yasuo Aomori、Tadashi Mishina、Terukiyo Hanafusa

  DOI：10.1246/bcsj.51.3393

  日期：1978.11

  6-dipivaloyl-1,2,4,5-tetramethylbenzene were prepared by the Friedel-Grafts dipropionylation of the corresponding polymethylbenzenes, followed by the exhaustive methylation of the resulting diketones with potassium t-butoxide and methyl iodide in boiling benzene-t-butyl alcohol. The PMR and IR spectra are reported for these new compounds.

  2,4-二新戊酰基-1,3,5-三甲基苯、4,6-二新戊酰基-1,2,3,5-四甲基苯和 3,6-二新戊酰基-1,2,4,5-四甲基苯的制备方法如下：相应的多甲基苯的 Friedel-Grafts 二丙酰化，然后在沸腾的苯 - 叔丁醇中用叔丁醇钾和甲基碘彻底甲基化得到的二酮。报告了这些新化合物的 PMR 和 IR 光谱。
• SUZUKI HITOMI; HASHIHAMA MITSUYUKI; MISHINA TADASHI, BULL. CHEM. SOC. JAP., 1981, 54, NO 4,1186-1190
  作者：SUZUKI HITOMI、 HASHIHAMA MITSUYUKI、 MISHINA TADASHI

  DOI：——

  日期：——
• SUZUKI HITOMI; AOMORI YASUO; MISHINA TADASHI; HANAFUSA TERUKIYO, BULL. CHEM. SOC. JAP., 1978, 51, NO 11, 3393-3394
  作者：SUZUKI HITOMI、 AOMORI YASUO、 MISHINA TADASHI、 HANAFUSA TERUKIYO

  DOI：——

  日期：——