4-isobutyryloxyacetophenone | 75305-81-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-isobutyryloxyacetophenone
• 英文别名: (4-Acetylphenyl) 2-methylpropanoate
• CAS: 75305-81-6
• 化学式: C₁₂H₁₄O₃
• mdl: MFCD08782365
• 分子量: 206.241
• InChiKey: WJLMOQKTIGCONY-UHFFFAOYSA-N

物化性质

• 熔点：
  38-39 °C
• 沸点：
  313.6±25.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-isobutyryloxyacetophenone 在 三氯化铝 、 溴 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-isobutyryloxyphenacyl bromide
  参考文献：
  名称：

  Synthesis and Biological Activity of Strongly Fluorescent Tricyclic Analogues of Acyclovir and Ganciclovir

  摘要：

  In search of strongly fluorescent tricyclic analogues of acyclovir (ACV, 1) and ganciclovir (GCV, 2), derivatives of the 3,9-dihydro-9-oxo-5H-imidazo[1,2-alpha]purine system, several 6-[4-(acyloxy)phenyl], 6- [4-(acylamino)phenyl], and 6- [4-(phenoxycarbonyloxy)phenyl]-substituted TACV and TGCV analogues were synthesized and evaluated for their activity against herpes simplex virus types 1 and 2 in cell culture. All TACV and TGCV analogues showed strong fluorescence (quantum yield of 30-65% vs 2-aminopurine 100%). The 6-[4-(phenoxycarbonyloxy)phenyl]-substituted compounds 11 and 19 displayed the best combination of the fluorescence and antiviral potency.

  DOI：

  10.1021/jm020827z
• 作为产物：
  描述：

  异丁酰氯 、 对羟基苯乙酮 在 四丁基氢氧化铵 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以86%的产率得到4-isobutyryloxyacetophenone
  参考文献：
  名称：

  Schwabe, Bodo; Westphal, Guenter; Henning, Hans-Georg, Zeitschrift fur Chemie, 1980, vol. 20, # 5, p. 184 - 185

  摘要：

  DOI：

文献信息

• Phosphine-catalyzed photo-induced alkoxycarbonylation of alkyl iodides with phenols and 1,4-dioxane through charge-transfer complex
  作者：Xing-Wei Gu、Youcan Zhang、Fengqian Zhao、Han-Jun Ai、Xiao-Feng Wu

  DOI：10.1016/s1872-2067(23)64398-0

  日期：2023.5

  alkoxycarbonylation of alkyl iodides with phenols and ethers. Based on the electron donor-acceptor photoactivation strategy, the reaction can be realized at atmospheric pressure of CO under transition metal-free conditions. This promising approach demonstrates high functional group tolerance and excellent chemoselectivity. Additionally, five-component perfluoroalkylative carbonylation for the synthesis of β-perfluoroalkyl

  电荷转移络合物和光照射的结合为可持续化学的要求提供了一个有前途的解决方案。在此，我们开发了膦催化的可见光诱导的烷基碘与酚类和醚类的烷氧基羰基化反应。基于电子供体-受体光活化策略，该反应可以在无过渡金属的条件下在常压 CO 下实现。这种有前途的方法展示了高官能团耐受性和出色的化学选择性。此外，还可以实现由未活化的烯烃和全氟烷基碘化物合成β-全氟烷基酰氧基酯的五组分全氟烷基化羰基化反应。此外，由于克级反应的优异性能和13CO结果，它为大规模生产和其他应用提供了潜在的机会。
• SCHWABE B.; WESTPHAL G.; HENNING H.-G., Z. CHEM., 1980, 20, NO 5, 184-185
  作者：SCHWABE B.、 WESTPHAL G.、 HENNING H.-G.

  DOI：——

  日期：——
• EID, A. I.;MIKHAIL, A. N.;ZAKARIA, I. M., EGYPT. J. PHARM. SCI., 28,(1987) N 1-4, 413-424
  作者：EID, A. I.、MIKHAIL, A. N.、ZAKARIA, I. M.

  DOI：——

  日期：——
• Synthesis and Biological Activity of Strongly Fluorescent Tricyclic Analogues of Acyclovir and Ganciclovir
  作者：Tomasz Goslinski、Bozenna Golankiewicz、Erik De Clercq、Jan Balzarini

  DOI：10.1021/jm020827z

  日期：2002.11.1

  In search of strongly fluorescent tricyclic analogues of acyclovir (ACV, 1) and ganciclovir (GCV, 2), derivatives of the 3,9-dihydro-9-oxo-5H-imidazo[1,2-alpha]purine system, several 6-[4-(acyloxy)phenyl], 6- [4-(acylamino)phenyl], and 6- [4-(phenoxycarbonyloxy)phenyl]-substituted TACV and TGCV analogues were synthesized and evaluated for their activity against herpes simplex virus types 1 and 2 in cell culture. All TACV and TGCV analogues showed strong fluorescence (quantum yield of 30-65% vs 2-aminopurine 100%). The 6-[4-(phenoxycarbonyloxy)phenyl]-substituted compounds 11 and 19 displayed the best combination of the fluorescence and antiviral potency.
• Schwabe, Bodo; Westphal, Guenter; Henning, Hans-Georg, Zeitschrift fur Chemie, 1980, vol. 20, # 5, p. 184 - 185
  作者：Schwabe, Bodo、Westphal, Guenter、Henning, Hans-Georg

  DOI：——

  日期：——