2-Hydroxyethyl 4-phenylbutanoate | 1027486-23-2

• 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-Hydroxyethyl 4-phenylbutanoate
• CAS: 1027486-23-2
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.25
• InChiKey: HIBHDHRNVQRODK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PROCES FOR PRODUCTION OF OPTICALLY ALPHA-FLUORO-CARBOXYLIC ESTER DERIVATIVES
  申请人：CENTRAL GLASS COMPANY, LIMITED

  公开号：EP1780194A1

  公开（公告）日：2007-05-02

  The present invention relates to a process for producing an optically active α-fluorocarboxylate derivative represented by the formula [2], by reacting an optically active α-hydroxycarboxylate derivative with trifluoromethanesulfonyl fluoride (CF3SO2F) in the presence of an organic base, in the formula [2], R represents a straight-chain or branched-chain alkyl group of a carbon number of 1 to 12; one of or two by any combination of aromatic hydrocarbon groups, unsaturated hydrocarbon groups, straight-chain or branched alkoxy groups of a carbon number of 1 to 6, aryloxy groups, halogen atoms (fluorine, chlorine, bromine and iodine), protected carboxyl groups, protected amino groups or protected hydroxyl group can be substituted on any carbon atoms of the alkyl group; R1 represents a straight-chain or branched-chain alkyl group of a carbon number of 1 to 8; any carbon atoms of the alkyl groups of R and R1 may form a covalent bond; and * represents an asymmetric carbon.

  本发明涉及一种由式[2]表示的光学活性α-氟羧酸酯衍生物的生产工艺、 在有机碱存在下，使光学活性α-羟基羧酸酯衍生物与三氟甲磺酰氟（CF3SO2F）反应、 式[2]中，R 代表碳原子数为 1 至 12 的直链或支链烷基；芳香烃基、不饱和烃基、碳原子数为 1 至 6 的直链或支链烷氧基、芳氧基、卤素原子（氟、氯、溴和碘）、受保护的羧基、受保护的氨基或受保护的羟基中的一个或两个的任意组合可在烷基的任意碳原子上被取代；R1 代表碳原子数为 1 至 8 的直链或支链烷基；R 和 R1 的烷基的任何碳原子均可形成共价键； * 代表不对称碳。
• Process For Production Of Optically Active Alpha-Fluoro-Carboxylic Ester Derivatives
  申请人：Ishii Akihiro

  公开号：US20080103327A1

  公开（公告）日：2008-05-01

  The present invention relates to a process for producing an optically active α-fluorocarboxylate derivative represented by the formula [2], by reacting an optically active α-hydroxycarboxylate derivative with trifluoromethanesulfonyl fluoride (CF 3 SO 2 F) in the presence of an organic base, in the formula [ 2 ], R represents a straight-chain or branched-chain alkyl group of a carbon number of 1 to 12; one of or two by any combination of aromatic hydrocarbon groups, unsaturated hydrocarbon groups, straight-chain or branched alkoxy groups of a carbon number of 1 to 6, aryloxy groups, halogen atoms (fluorine, chlorine, bromine and iodine), protected carboxyl groups, protected amino groups or protected hydroxyl group can be substituted on any carbon atoms of the alkyl group; R 1 represents a straight-chain or branched-chain alkyl group of a carbon number of 1 to 8; any carbon atoms of the alkyl groups of R and R 1 may form a covalent bond; and * represents an asymmetric carbon.
• US7462734B2
  申请人：——

  公开号：US7462734B2

  公开（公告）日：2008-12-09