methyl 3-hydroxy-3-(2-methylphenyl)propionate | 124393-57-3

• 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: methyl 3-hydroxy-3-(2-methylphenyl)propionate
• 英文别名: Methyl 3-hydroxy-3-(2-methylphenyl)propanoate
• CAS: 124393-57-3
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: RMTWABRKIPDZOY-UHFFFAOYSA-N

物化性质

• 沸点：
  319.2±27.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 储存条件：
  存储于室温环境

反应信息

• 作为反应物：
  描述：

  methyl 3-hydroxy-3-(2-methylphenyl)propionate 在 jones reagent 作用下， 以 丙酮 为溶剂， 生成 3-氧代-3-(2-甲苯基)丙酸甲酯
  参考文献：
  名称：

  Solvent Dependent Photochemical Reactions of 3-(2-Alkylphenyl)-2,2-dimethyl-3-oxopropanoates and Their Related Compounds

  摘要：

  Photochemical reactions of methyl 3-(o-alkylphenyl)-2,2-dimethyl-3-oxopropanotes in hexane gave only the corresponding benzocyclobutenols. However, when irradiation was carried out in methanol, 3-oxonaphthalenones were produced together with the benzocyclobutenols. The ratio of benzocyclobutenol to naphthalenone depends on the bulkiness of the alkyl group in the ortho position. Intermediary 1,4-diradicals or dienols were efficiently trapped by oxygen to afford the corresponding peroxides and/or oxygenated compounds derived from the peroxides.

  DOI：

  10.1021/jo981433b
• 作为产物：
  描述：

  甲酸甲酯 、 2-甲基苯乙烯 在 potassium dihydrogenphosphate 、 2,4,5,6-四(9H-咔唑-9-基)异酞腈 、 4-cyano-1-isopropoxypyridin-1-ium trifluoromethanesulfonate 作用下， 反应 1.0h， 以64%的产率得到methyl 3-hydroxy-3-(2-methylphenyl)propionate
  参考文献：
  名称：

  使用烷基格式的烯烃的可见光驱动，无金属发散双官能化

  摘要：

  在最近几十年中，烯烃的双官能化作为增加分子复杂性的有效而直接的方法受到了广泛的关注。然而，通过分子间加成烷氧基羰基以提供取代的链烷酸酯而引发的烯烃的双官能化的例子仍然很少。在这里，我们介绍了在环境条件下由烷氧基羰基分子间加成引发的可见光驱动的烯烃的无金属发散双官能化。使用烷基甲酸酯作为烷氧羰基自由基的前体，并使用4CzIPN作为光催化剂，可以轻松获得具有高官能团耐受性和高官能度的各种取代链烷酸酯，包括β-烷氧基，β-羟基，β-二甲氧基甲氧基和β-甲酰氧基链烷酸酯。效率。此外，N-烷氧基叠氮盐。

  DOI：

  10.1021/acscatal.0c04332

文献信息

• Synthesis of 4-alkoxycarbonyl-butenolides by uncatalyzed one-pot cyclization of 1,3-bis(silyloxy)alk-1-enes with oxalyl chloride
  作者：Rüdiger Dede、Lars Michaelis、Dilver Fuentes、Mirza Arfan Yawer、Ibrar Hussain、Christine Fischer、Peter Langer

  DOI：10.1016/j.tet.2007.10.025

  日期：2007.12

  3-Hydroxy-4-alkoxycarbonyl-butenolides were prepared by one-pot cyclizations of 1,3-bis(silyloxy)alk-1-enes with oxalyl chloride. (c) 2007 Elsevier Ltd. All rights reserved.
• BROCARD, JACQUES;PELINSKI, LYDIE;LEBIBI, JACQUES;MAHMOUDI, MADANI;MACIEJE+, TETRAHEDRON, 45,(1989) N, C. 709-720
  作者：BROCARD, JACQUES、PELINSKI, LYDIE、LEBIBI, JACQUES、MAHMOUDI, MADANI、MACIEJE+

  DOI：——

  日期：——
• Visible-Light-Driven, Metal-Free Divergent Difunctionalization of Alkenes Using Alkyl Formates
  作者：Ming Zheng、Jing Hou、Le-Wu Zhan、Yan Huang、Ling Chen、Li-Li Hua、Yan Li、Wan-Ying Tang、Bin-Dong Li

  DOI：10.1021/acscatal.0c04332

  日期：2021.1.15

  difunctionalization of alkenes has received considerable attention as an efficient and straightforward way to increase molecular complexity. However, examples of the difunctionalization of alkenes initiated by the intermolecular addition of alkoxycarbonyl radicals providing substituted alkanoates are still rare. Herein, we present the visible light-driven metal-free divergent difunctionalization of alkenes triggered

  在最近几十年中，烯烃的双官能化作为增加分子复杂性的有效而直接的方法受到了广泛的关注。然而，通过分子间加成烷氧基羰基以提供取代的链烷酸酯而引发的烯烃的双官能化的例子仍然很少。在这里，我们介绍了在环境条件下由烷氧基羰基分子间加成引发的可见光驱动的烯烃的无金属发散双官能化。使用烷基甲酸酯作为烷氧羰基自由基的前体，并使用4CzIPN作为光催化剂，可以轻松获得具有高官能团耐受性和高官能度的各种取代链烷酸酯，包括β-烷氧基，β-羟基，β-二甲氧基甲氧基和β-甲酰氧基链烷酸酯。效率。此外，N-烷氧基叠氮盐。
• Solvent Dependent Photochemical Reactions of 3-(2-Alkylphenyl)-2,2-dimethyl-3-oxopropanoates and Their Related Compounds
  作者：Masaichi Saito、Yumiko Kamei、Kanae Kuribara、Michikazu Yoshioka、Tadashi Hasegawa

  DOI：10.1021/jo981433b

  日期：1998.11.1

  Photochemical reactions of methyl 3-(o-alkylphenyl)-2,2-dimethyl-3-oxopropanotes in hexane gave only the corresponding benzocyclobutenols. However, when irradiation was carried out in methanol, 3-oxonaphthalenones were produced together with the benzocyclobutenols. The ratio of benzocyclobutenol to naphthalenone depends on the bulkiness of the alkyl group in the ortho position. Intermediary 1,4-diradicals or dienols were efficiently trapped by oxygen to afford the corresponding peroxides and/or oxygenated compounds derived from the peroxides.