isopropyl α-acetoxyisobutyrate | 57865-38-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: isopropyl α-acetoxyisobutyrate
• 英文别名: Propan-2-yl 2-acetyloxy-2-methylpropanoate
• CAS: 57865-38-0
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: YHPUKQHCFODJCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 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：

  2-乙酰氧基异丁酰氯 、 异丙醇 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 isopropyl α-acetoxyisobutyrate
  参考文献：
  名称：

  Ruechardt,C.; Brinkmann,H., Chemische Berichte, 1975, vol. 108, p. 3224 - 3242

  摘要：

  DOI：

文献信息

• ISOBUTYRIC ESTER COMPOUND HAVING ACETOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP3816267A1

  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 6 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 6 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。
• Isobutyric ester compound having acetoxy group at alpha-position, fragrance composition, and use thereof as fragrance
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US11326125B2

  公开（公告）日：2022-05-10

  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 6 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 6 个碳原子的直链、支链或环状烷基。
• Condensed heterocylic compounds and herbicides containing them as active ingredients
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20030216258A1

  公开（公告）日：2003-11-20

  Condensed heterocyclic compounds of the general formula: 1 wherein T is carbon or nitrogen; when T is carbon, then the bond between T and A is a double bond, the bond between A and Y is a single bond, and Y is oxygen, sulfur, or optionally substituted NH; or when T is nitrogen, then the bond between T and A is a single bond, the bond between A and Y is a double bond, and Y is nitrogen or optionally substituted CH; A is nitrogen or optionally substituted CH; R 1 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, or cyano; R 2 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, cyano, or the like; R 3 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, cyano, or the like; R 4 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, or cyano, and Q is a saturated or unsaturated 5- or 6-membered heterocyclic ring containing one to four nitrogen atoms, or a saturated or unsaturated cyclopentylideneamino group containing one or two nitrogen heteroatoms and one oxygen or sulfur heteroatom.

  通式如下的缩合杂环化合物 1 其中 T 为碳或氮；当 T 为碳时，则 T 与 A 之间的键为双键，A 与 Y 之间的键为单键，且 Y 为氧、硫或任选取代的 NH；或当 T 为氮时，则 T 与 A 之间的键为单键，A 与 Y 之间的键为双键，且 Y 为氮或任选取代的 CH；A 为氮或任选取代的 CH；R 1 是氢、卤素、烷基、卤代烷基、羟甲基、硝基或氰基；R 2 是氢、卤素、烷基、卤代烷基、羟甲基、硝基、氰基或类似物；R 3 是氢、卤素、烷基、卤代烷基、羟甲基、硝基、氰基或类似物；R 4 是氢、卤素、烷基、卤代烷基、羟甲基、硝基或氰基，以及 Q 是含有 1 至 4 个氮原子的饱和或不饱和 5 或 6 元杂环，或含有 1 或 2 个氮杂原子和 1 个氧或硫杂原子的饱和或不饱和环戊亚胺基团。
• ISOBUTYRIC ESTER COMPOUND HAVING ACETOXY GROUP AT ALPHA-POSITION, FRAGRANCE COMPOSITION, AND USE THEREOF AS FRAGRANCE
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20210277326A1

  公开（公告）日：2021-09-09

  A fragrance composition comprising a compound represented by Formula (1) as an active ingredient: wherein, in Formula (1), R 1 represents a linear, branched, or cyclic alkyl group having 1 to 6 carbon atoms.