1-(3,3-二甲氧基丁基)-4-甲氧基苯 | 122948-45-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(3,3-二甲氧基丁基)-4-甲氧基苯
• 英文名称: 2,2-Dimethoxy-4-(4-methoxyphenyl)butane
• 英文别名: 4-(p-Methoxyphenyl)-2-butanone dimethyl acetal；1-(3,3-dimethoxybutyl)-4-methoxybenzene；Benzene, 1-(3,3-dimethoxybutyl)-4-methoxy-
• CAS: 122948-45-2
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: ZXESOWFJETWKAY-UHFFFAOYSA-N

物化性质

• 沸点：
  303.5±37.0 °C(Predicted)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,3-二甲氧基丁基)-4-甲氧基苯 在 吡啶 、 盐酸肼 作用下， 以 二氯甲烷 为溶剂， 160.0 ℃ 、689.49 kPa 条件下， 反应 24.58h， 生成 ethyl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  覆盆子酮甲基醚的1 H-吡唑羧酸烷基酯的设计，合成和结构

  摘要：

  本文报道了通过1,1,1-三氯-4-甲氧基-6-（4-的环缩合反应一锅合成5- [2-（4-甲氧基苯基）乙基] -1 H-吡唑-3-羧酸酯在常规和微波加热下，在ROH（R ​​= Me，Et，n -Pr，i -Pr，i -Bu，i -Am，十六烷基）中与盐酸肼形成甲氧基苯基）hex-3-en-2-one 。两种方法的产率相当，但是在MW加热下，反应进行得更快。使用DPPH自由基清除测定法测量化合物的抗氧化活性。观察到，醇链长度的增加降低了覆盆子酮衍生的分子系统的抗氧化能力。

  DOI：

  10.1007/s10593-020-02816-z
• 作为产物：
  描述：

  4-(4-甲氧苯基)-2-丁酮 、 原甲酸三甲酯 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 生成 1-(3,3-二甲氧基丁基)-4-甲氧基苯
  参考文献：
  名称：

  添加叠氮离子对 α-叠氮醚溶剂分解的常见离子抑制作用产生的氧代碳鎓离子在水溶液中的寿命

  摘要：

  Determination des constantes de vitesse d'hydration des ions oxocarbeniums intermediaires。替代物的作用

  DOI：

  10.1021/ja00202a033

文献信息

• Application of the Excited State Meta Effect in Photolabile Protecting Group Design
  作者：Pengfei Wang、Huayou Hu、Yun Wang

  DOI：10.1021/ol071085c

  日期：2007.7.1

  A novel photolabile protecting group for carbonyl compounds has been developed, based on the excited state meta effect.

  基于激发态的间位效应，已经开发了一种新型的羰基化合物的光不稳定保护基。
• An efficient protection of carbonyls and deprotection of acetals using decaborane
  作者：Seung Hwan Lee、Ji Hee Lee、Cheol Min Yoon

  DOI：10.1016/s0040-4039(02)00387-8

  日期：2002.4

  Carbonyls were efficiently converted to the corresponding dimethyl acetals at room temperature using trimethyl orthoformate and 1 mol% of decaborane under a nitrogen atmosphere. In turn. acetals ere deprotected to the corresponding carbonyls using 1 mol% of decaborane in aqueous THF chemoselectively. (C) 2002 Elsevier Science Ltd. All rights reserved.
• An Acetal Acylation Methodology for Producing Diversity of Trihalomethyl- 1,3‑dielectrophiles and 1,2-Azole Derivatives
  作者：Valéria Bareño、Daiane Santos、Leandro Frigo、Debora de Mello、Juliana Malavolta、Rogerio Blanco、Lucas Pizzuti、Darlene Flores、Alex Flores

  DOI：10.21577/0103-5053.20190160

  日期：——

  A series of functionalized 1,1,1-trihalo-4-methoxy-3-alken-2-ones [CX3C(O)CR1=CROMe, where X = F or Cl; R = n-heptyl, n-octyl, n-nonyl, n-decyl, n-undecyl, n-tridecyl, (CH2)(2)CH=C(Me)(2), (CH2)(2)Ph, (CH2)(2)-(4-HOC6H4), (CH2)(2)-(4-MeOC6H4), (CH2)(2)CO2Me, (CH2)(3)CO2Me, CH(SMe)CH3, CH2(2-MeOC6H4), and R-1 = H, and R = H and R-1 = n-decyl] were synthesized from respective alkyl methyl ketones or aldehyde via acetal acylation using trifluoroacetic anhydride and trichloroacetyl chloride. 1,1,1-Trihalo-4-methoxy-3-alken-2-ones with acid-compatible substituents were easily hydrolyzed to respective trihalomethyl-1,3-diketones. The 1,1,1-trihalo-4-methoxy-3-alken-2-ones and/or respective trihalomethyl-1,3-diketones were reacted regiospecifically with hydroxylamine hydrochloride, leading to isoxazole derivatives, and with hydrazines, leading to respective 1H-pyrazole derivatives. The structures of all compounds were assigned based on nuclear magnetic resonance (NMR) and mass spectrometric data. This method represents an efficient pathway for the regioselective trihaloacetylation of asymmetrically substituted alkyl methyl ketones and highly self-condensing aldehydes. Moreover, this approach allows the introduction of biologically recognizable moieties, such as those from levulinic acid, sulcatone (prenyl), benzylacetone, anisylacetone, and raspberry ketone, as synthetic molecular targets.
• One-Pot Reductive Amination of Acetals with Aromatic Amines Using Decaborane (B10H14) in Methanol
  作者：Park, Eun Soo、Lee, Ji Hee、Kim, Soo Jung、Yoon, Cheol Min

  DOI：10.1081/scc-120023997

  日期：2003.9

  Aldehyde acetals and ketone ketals were reductively aminated in one pot with aromatic amines to give the corresponding amines in methanol or aqueous methanol in good to high yields. This direct method might be important because acetals and ketals are used as a popular protecting group for aldehyde and ketones. The advantage of our method is effective even in an aqueous solution and in the application to selective reaction.
• Suzuki, Takeshi; Oriyama, Takeshi, Synlett, 2000, # 6, p. 859 - 861
  作者：Suzuki, Takeshi、Oriyama, Takeshi

  DOI：——

  日期：——