2,4-dihydroxybutyric acid sodium salt | 1374126-11-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2,4-dihydroxybutyric acid sodium salt
• 英文别名: Butyric acid, 2,4-dihydroxy-, sodium salt；sodium;2,4-dihydroxybutanoate
• CAS: 1374126-11-0
• 化学式: C₄H₇O₄*Na
• 分子量: 142.087
• InChiKey: PTCGXWUVPZKIKL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.52
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3-carboxy-3-hydroxypropyl)(carboxymethyl)(methyl)sulfonium bromide 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 19.0h， 生成 2,4-dihydroxybutyric acid sodium salt 、 methylthio-acetic acid sodium salt
  参考文献：
  名称：

  METHOD FOR PREPARING 2-HYDROXYBUTYROLACTONE

  摘要：

  该发明涉及一种从化合物或其盐或其寡聚物制备2-羟基丁酸内酯（2HBL）的方法，所述化合物符合结构式（I）CH3—S—CH2CH2CR1R2R3其中R1代表HR2代表从OH; OR4和OCOR4中选择的一个基团，其中R4代表从1到10个碳原子的线性、环状、脂环或支链烷基基团，以及从6到10个碳原子的芳基基团，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换; 和OSiRR′R″其中R、R′和R″分别从1到10个碳原子的线性、环状、脂环或支链烷基基团、从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团组成的取代基或R1和R2一起代表═O，R3代表COOH或COOR5基团，其中R5代表从1到10个碳原子的线性、环状、脂环或支链烷基基团、苄基基团和苄基基团，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换，或R3代表氰基，按照该方法获得所述化合物的烷基硫盐，所述烷基硫盐符合结构式（II）[CH3][CH2CH2CR1R2CR3][CR6R7R8]S+X−其中R1、R2和R3具有上述定义，R6和R7分别从H、从1到10个碳原子的线性、环状、脂环或支链烷基基团和从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换; R8从H、从1到10个碳原子的线性、环状、脂环或支链烷基基团、从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团组成的取代基，和吸引子基团，尤其是包括酸、酯、氰基团的功能中选择的基团，X代表一个反离子，然后获得的烷基硫盐被水解，2,4-二羟基丁酸或其盐被环化成2-羟基丁酸内酯。

  公开号：

  US20130204016A1

文献信息

• METHOD FOR PREPARING 2-HYDROXYBUTYROLACTONE
  申请人：Henryon Vivien

  公开号：US20130204016A1

  公开（公告）日：2013-08-08

  The invention relates to a method for preparing 2-hydroxybutyrolactone (2HBL) from a compound or its salt or its oligomers, said compound fitting formula (I) CH 3 —S—CH 2 CH 2 CR1R2R3 Wherein R1 represents H R2 represents a group selected from OH; OR4 and OCOR4 wherein R4 represents a group selected from linear, cyclic, alicyclic or branches alkyl groups having from 1 to 10 carbon atoms, and aryl groups having from 6 to 10 carbon atoms, optionally substituted with substituent(s) selected from linear or branched alkyl groups having from 1 to 10 carbon atoms, halogens and hydroxyl, amino, nitro and alkoxy groups having from 1 to 10 carbon atoms; and OSiRR′R″ wherein R, R′ and R″ are selected independently of each other from linear, cyclic, alicyclic or branched alkyl groups having from 1 to 10 carbon atoms, aryl groups having from 6 to 10 carbon atoms, optionally substituted with substituent(s) selected from linear or branched alkyl groups having from 1 to 10 carbon atoms, or R1 and R2 represent together ═O, R3 represents COOH or a COOR5 group wherein R5 represents a group selected from linear, cyclic, alicyclic or branched alkyl groups having from 1 to 10 carbon atoms, benzyl groups and benzyl groups substituted with one or two substituents selected from linear or branched alkyl groups having from 1 to 10 carbon atoms, halogens and hydroxyl, amino, nitro and alkoxy groups having from 1 to 10 carbon atoms, or R3 represents a cyano group, method according to which a sulfonium of said compound is obtained, said sulfonium fitting the formula (II) [CH 3 ][CH 2 CH 2 CR1R2CR3][CR6R7R8]S + X − wherein R1, R2 and R3 have the above definition, and R6 and R7 are selected independently of each other from H, linear, cyclic, alicyclic or branched alkyl groups having from 1 to 10 carbon atoms, and aryl groups having from 6 to 10 carbon atoms, optionally substituted with substituent(s) selected from linear or branched alkyl groups having from 1 to 10 carbon atoms, halides and hydroxyl, amino, nitro and alkoxy groups having from 1 to 10 carbon atoms; R8 is selected from H, linear, cyclic, alicyclic or branched alkyl groups having from 1 to 10 carbon atoms, aryl groups having from 6 to 10 carbon atoms, optionally substituted with substituent(s) selected from linear or branched alkyl groups having from 1 to 10 carbon atoms, and attractor groups notably those comprising a function selected from acid, ester, cyano functions and X represents a counter-ion, and the thereby obtained sulfonium is hydrolyzed and 2,4-dihydroxybutyric acid or its salt is cyclized into 2-hydroxybutyrolactone.

  该发明涉及一种从化合物或其盐或其寡聚物制备2-羟基丁酸内酯（2HBL）的方法，所述化合物符合结构式（I）CH3—S—CH2CH2CR1R2R3其中R1代表HR2代表从OH; OR4和OCOR4中选择的一个基团，其中R4代表从1到10个碳原子的线性、环状、脂环或支链烷基基团，以及从6到10个碳原子的芳基基团，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换; 和OSiRR′R″其中R、R′和R″分别从1到10个碳原子的线性、环状、脂环或支链烷基基团、从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团组成的取代基或R1和R2一起代表═O，R3代表COOH或COOR5基团，其中R5代表从1到10个碳原子的线性、环状、脂环或支链烷基基团、苄基基团和苄基基团，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换，或R3代表氰基，按照该方法获得所述化合物的烷基硫盐，所述烷基硫盐符合结构式（II）[CH3][CH2CH2CR1R2CR3][CR6R7R8]S+X−其中R1、R2和R3具有上述定义，R6和R7分别从H、从1到10个碳原子的线性、环状、脂环或支链烷基基团和从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团、卤素和羟基、氨基、硝基和从1到10个碳原子的烷氧基组成的取代基置换; R8从H、从1到10个碳原子的线性、环状、脂环或支链烷基基团、从6到10个碳原子的芳基基团中选择，可选择地被从1到10个碳原子的线性或支链烷基基团组成的取代基，和吸引子基团，尤其是包括酸、酯、氰基团的功能中选择的基团，X代表一个反离子，然后获得的烷基硫盐被水解，2,4-二羟基丁酸或其盐被环化成2-羟基丁酸内酯。