2-methoxy-2-methylbutanoic acid | 55394-68-8

• 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: 2-methoxy-2-methylbutanoic acid
• 英文别名: 2-methoxy-2-methyl-butyric acid；2-Methoxy-2-methyl-buttersaeure
• CAS: 55394-68-8
• 化学式: C₆H₁₂O₃
• mdl: MFCD13881906
• 分子量: 132.159
• InChiKey: ILPPBAVVZSUKHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-2-methylbutanoic acid 、 仲丁醇 在 对甲苯磺酸 、 苯 作用下， 生成 2-methoxy-2-methyl-butyric acid sec-butyl ester
  参考文献：
  名称：

  Dauben; Liang, Huaxue Xuebao/Acta Chimica Sinica, 1959, vol. 25, p. 129,134

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基-2-甲基丁酸 在 乙醚 、 sodium hydride 、 对甲苯磺酸 、 苯 作用下， 生成 2-methoxy-2-methylbutanoic acid
  参考文献：
  名称：

  Dauben; Liang, Huaxue Xuebao/Acta Chimica Sinica, 1959, vol. 25, p. 129,134

  摘要：

  DOI：

文献信息

• Phenylglycine Methyl Ester, a Useful Tool for Absolute Configuration Determination of Various Chiral Carboxylic Acids
  作者：Tetsuya Yabuuchi、Takenori Kusumi

  DOI：10.1021/jo991218a

  日期：2000.1.1

  A new chiral anisotropic reagent, phenylglycine methyl ester (PGME), developed for the elucidation of the absolute configuration of chiral alpha,alpha-disubstituted acetic acids, has turned out to be applicable to other substituted carboxylic acids, such as chiral alpha-hydroxy-, alpha-alkoxy-, and alpha-acyloxy-alpha, alpha-disubstituted acetic acids, as well as to chiral beta, beta-disubstituted

  为了阐明手性α，α-二取代乙酸的绝对构型而开发的一种新的手性各向异性试剂苯甘氨酸甲酯（PGME）已证明可用于其他取代的羧酸，例如手性α-羟基- ，α-烷氧基-和α-酰氧基-α，α-二取代的乙酸，以及手性β，β-二取代的丙酸。由于羧基部分可从其他官能团转化而来，例如烯烃的臭氧分解和二醇的氧化裂解，因此，本发现可将PGME方法的用途扩展到各种类型有机化合物的绝对构型测定，甚至那些最初缺乏氧气功能。描述了化学反应和PGME方法结合的几个例子。
• A Convenient One-Pot Synthesis of Quaternary .ALPHA.-Methoxy- and .ALPHA.-Hydroxycarboxylic Acids.
  作者：Tetsuya YABUUCHI、Takenori KUSUMI

  DOI：10.1248/cpb.47.684

  日期：——

  Several α-methoxy- and α-hydroxycarboxylic acids have been synthesized by a new one-pot synthesis using ketones, tribromomethane, and potassium hydroxide in methanol and water, respectively, in good yields.

  通过一种新型的一锅法合成，使用了酮、三溴甲烷和氢氧化钾分别在甲醇和水中的条件下，成功合成了数种α-甲氧基和α-羟基羧酸，产率良好。
• METHOD FOR PRODUCING UNSATURATED ACID ESTER OR UNSATURATED ACID
  申请人：ASAHI GLASS COMPANY, LIMITED

  公开号：US20160122279A1

  公开（公告）日：2016-05-05

  The present invention relates to a method for producing an unsaturated-acid ester or an unsaturated acid, containing a step of reacting a compound (1) represented by the following formula (1) with a compound represented by the following formula (2) (excluding the compound (1)) in the presence of a Lewis acid catalyst at a temperature of the boiling point of the compound (1) or higher and 350° C. or lower, thereby obtaining products including a compound represented by the following formula (3): (in formula (1) and formula (3), R 1 , R 2 and R 4 each independently may be hydrogen atom or an alkyl group, R 3 and R 5 each independently are hydrogen atom or a deuterium atom, and X is a halogen atom; in formula (2) and formula (3), R 6 may be hydrogen atom, an alkyl group or an aryl group, and R 7 is hydrogen atom or a deuterium atom).

  本发明涉及一种制备不饱和酸酯或不饱和酸的方法，包括以下步骤：在存在Lewis酸催化剂的条件下，将以下式(1)所表示的化合物与以下式(2)所表示的化合物（不包括化合物(1)）反应，反应温度为化合物(1)的沸点或更高，且不高于350℃，从而获得包括以下式(3)所表示的化合物的产物：（在式(1)和式(3)中，R1、R2和R4各自独立地可以是氢原子或烷基，R3和R5各自独立地可以是氢原子或氘原子，X是卤素原子；在式(2)和式(3)中，R6可以是氢原子、烷基或芳基，R7是氢原子或氘原子）。
• Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators
  申请人：HITACHI, LTD.

  公开号：EP0322862A2

  公开（公告）日：1989-07-05

  The invention relates to optically active compounds represented by the general formula I wherein n, R1, R2, R3, R4., Q1, Q2, Q3, and M are defined as in the specification, methods and intermediates for their preparation, liquid crystal compositions comprising at least one optically active compound of formula I and their use in electrooptical display, switching and modulation devices.

  本发明涉及通式 I 所代表的光学活性化合物，其中 n、R1、R2、R3、R4. 其中 n、R1、R2、R3、R4.、Q1、Q2、Q3 和 M 的定义如说明书中所述，还涉及制备它们的方法和中间体、包含至少一种式 I 的光学活性化合物的液晶组合物以及它们在光电显示、开关和调制装置中的用途。
• Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions
  申请人：HITACHI, LTD.

  公开号：EP0341713A2

  公开（公告）日：1989-11-15

  The invention relates to optically active compounds represented by the general formula I wherein m, n, Ri, R2, R3. R4, Q1, Q2, Q3, and M are defined as in the specification, methods and intermediates for their preparation, liquid crystal compositions comprising at least one optically active compound of formula I and their use in electrooptical display, switching and modulation devices.

  本发明涉及通式 I 所代表的光学活性化合物 其中m、n、Ri、R2、R3.R4、Q1、Q2、Q3 和 M 在说明书中的定义、制备它们的方法和中间体、包含至少一种式 I 的光学活性化合物的液晶组合物以及它们在光电显示、开关和调制装置中的用途。