α-propanoyloxyisobutyric acid methyl ester | 93849-98-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: α-propanoyloxyisobutyric acid methyl ester
• 英文别名: methyl α-propanoyloxyisobutyrate；Methyl 2-methyl-2-propanoyloxypropanoate
• CAS: 93849-98-0
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: VRFVMHZEDOUZTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 2,2-dimethyl-5-ethyl-3(2H)-furanone 在 间氯过氧苯甲酸 作用下， 生成 α-propanoyloxyisobutyric acid methyl ester 、 2-carbomethoxy-2-ethyl-5,5-dimethyl-1,3-dioxalan-4-one
  参考文献：
  名称：

  Wolff, Steven; Agosta, William C., Canadian Journal of Chemistry, 1984, vol. 62, p. 2429 - 2434

  摘要：

  DOI：

文献信息

• Amidine compounds and herbicides
  申请人：Miyashita Yasuhiro

  公开号：US20110301355A1

  公开（公告）日：2011-12-08

  Novel amidine compounds which may be active ingredients in herbicides that are reliably effective at a lesser dose and highly safe, and herbicides containing these compounds as active ingredients are provided. Amidine compounds represented by a formula (1′) and herbicides containing at least one kind of these compounds as active ingredients, [wherein G is an optionally substituted nitrogen-containing heterocyclic group represented by a formula (2′) with a proviso that the number of carbons constituting the nitrogen-containing heterocycle of the nitrogen-containing heterocyclic group is 10 or less and that 2H-Indazole ring is excluded; Q′ represents cyano or the like; and A′ represents substituted phenyl or the like].

  提供了一种可能是除草剂活性成分的新型氨基脲化合物，其在较小剂量下可靠有效且高度安全，并含有这些化合物作为活性成分的除草剂。该化合物由式（1'）表示，含有至少一种这些化合物作为活性成分的除草剂，其中G是可选取代的氮杂环基团，由式（2'）表示，其中构成氮杂环的碳数不超过10，并且不包括2H-吲哚唑环；Q'代表氰基或类似物；A'代表取代的苯基或类似物。
• Process for producing 3-phenyluracil compounds
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1101761A2

  公开（公告）日：2001-05-23

  The uracil compounds represented by the formula [V]: wherein R1 represents C1-C5 perfluoroalkyl group and Q represents an aromatic group, can be produced by making the amide compounds represented by the formula [II]: wherein R1 and Q have the same meanings defined above, or its hydrate react with a cyanate salt in the presence of a protonic acid.

  由式[V]代表的尿嘧啶化合物：其中 R1 代表 C1-C5 全氟烷基，Q 代表芳香基团，可通过制造由式[II]代表的酰胺化合物（其中 R1 和 Q 具有与上述定义相同的含义）或其水合物，在质子酸存在下与氰酸盐反应制得。
• AMIDINE COMPOUND AND HERBICIDE
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1911350A1

  公开（公告）日：2008-04-16

  Novel amidine compounds which may be active ingredients in herbicides that are reliably effective at a lesser dose and highly safe, and herbicides containing these compounds as active ingredients are provided. Amidine compounds represented by a formula (1') and herbicides containing at least one kind of these compounds as active ingredients, [wherein G is an optionally substituted nitrogen-containing heterocyclic group represented by a formula (2') with a proviso that the number of carbons constituting the nitrogen-containing heterocycle of the nitrogen-containing heterocyclic group is 10 or less and that 2H-Indazole ring is excluded; Q' represents cyano or the like; and A' represents substituted phenyl or the like].

  本发明提供了可作为除草剂活性成分的新型脒类化合物，这些化合物在较小剂量下具有可靠的有效性和高度安全性，还提供了含有这些化合物作为活性成分的除草剂。由式（1'）表示的脒化合物 以及含有至少一种此类化合物作为活性成分的除草剂，[其中 G 是由式（2'）表示的任选取代的含氮杂环基团 但条件是构成含氮杂环基团的含氮杂环的碳数为 10 或更少，且不包括 2H-Indazole 环；Q'代表氰基或类似物；A'代表取代苯基或类似物]。
• ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP3816268A1

  公开（公告）日：2021-05-05

  A fragrance composition comprising a compound represented by Formula (1) as an active ingredient: wherein, in Formula (1), R1 represents a linear, branched, or cyclic alkyl group having 1 to 5 carbon atoms.

  一种香料组合物，其活性成分包括由式（1）代表的化合物： 其中，在式 (1) 中，R1 代表具有 1 至 5 个碳原子的直链、支链或环状烷基。
• METHOD FOR PRODUCING A-ACYLOXY CARBOXYLIC ACID ESTER
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP4001257A1

  公开（公告）日：2022-05-25

  [Object] To provide a method for producing an α-acyloxycarboxylic acid ester, the method being efficient and excellent in economic efficiency. [Solution] A method for producing an α-acyloxycarboxylic acid ester represented by Formula (1), including reacting an α-hydroxycarboxylic acid ester compound with an acylating agent in the presence of a catalyst comprising an iron halide compound. where R1 represents a hydrogen atom, a methyl group, an ethyl group, an n-propyl group, an isopropyl group, or a tert-butyl group, R2 and R3 each independently represent a methyl group or an ethyl group, and R4 represents a linear, branched, or cyclic alkyl group having from 1 to 6 carbon atoms.

  目的 提供一种生产α-乙酰氧基羧酸酯的方法，该方法效率高，经济效益好。 [解决方案］ 一种生产由式（1）表示的α-乙酰氧基羧酸酯的方法，包括在由卤化铁化合物组成的催化剂存在下，使α-羟基羧酸酯化合物与酰化剂反应。 其中 R1 代表氢原子、甲基、乙基、正丙基、异丙基或叔丁基，R2 和 R3 各自独立地代表甲基或乙基，R4 代表具有 1 至 6 个碳原子的直链、支链或环状烷基。