(S)-Methyl 3-hydroxy-3-(2-thiophenyl)propanoate | 152402-42-1

• 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: (S)-Methyl 3-hydroxy-3-(2-thiophenyl)propanoate
• 英文别名: methyl 3-hydroxy-3-(2-thiophenyl)propanoate；Methyl 3-hydroxy-3-(thiophen-2-yl)propanoate；methyl 3-hydroxy-3-thiophen-2-ylpropanoate
• CAS: 152402-42-1
• 化学式: C₈H₁₀O₃S
• 分子量: 186.232
• InChiKey: XBODDYRBEWWVIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氧代-3-(2-噻吩基)丙酸甲酯 在 [N-[(1S,2S)-2-(amino-κN)-1,2-diphenylethyl]-p-tolylsulphonamidato-κN]chloro[(η6)-cumene]ruthenium(II) 甲酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以97.4%的产率得到
  参考文献：
  名称：

  Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives

  摘要：

  本发明涉及一种在含有钌催化剂的情况下还原3-杂环基-3-酮羧酸酯以制备立体异构富集的3-杂环基-3-羟基羧酸酯的方法。

  公开号：

  US20030225274A1

文献信息

• Preparation of mono-N-sulphonylated diamines
  申请人：Bosch Elmar Boris

  公开号：US20050059842A1

  公开（公告）日：2005-03-17

  The present invention relates to a process for preparing mono-N-sulphonylated diamines by reacting diamines with sulphonyl halides in the presence of water, base and organic solvents.

  本发明涉及一种通过在水、碱和有机溶剂存在下将二胺与磺酰卤反应制备单N-磺酰化二胺的方法。
• PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL
  申请人：Kreis Michael

  公开号：US20140031564A1

  公开（公告）日：2014-01-30

  The present invention relates to a method for preparing (S)-3-N-methylamino-1-(2-thienyl)-1-propanol and salts thereof.

  本发明涉及一种制备（S）-3-N-甲基氨基-1-(2-噻吩基)-1-丙醇及其盐的方法。
• 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same
  申请人：Takehara Jun

  公开号：US20050107621A1

  公开（公告）日：2005-05-19

  The object of the present invention is to provide 3-hydroxy-3-(2-thienyl)propionamides useful as synthesis intermediates of pharmaceutical preparations and the like and a method for obtaining optically active 3-amino-1-(2-thienyl)-1-propanols using the same with high reaction yield, high optical yield and industrially low cost. According to the present invention, 3-amino-1-(2-thienyl)-1-propanols are obtained by carrying out asymmetric reduction of a β-ketocarbonyl compound having thiophene ring in the presence of a catalyst constituted from a compound of a group VIII or IX metal in the periodic table (e.g., a ruthenium compound) and an asymmetric ligand represented by a specified optically active diamine derivative (e.g., a diphenylethylenediamine derivative), or using a cell, a treated product of said cell or the like of a microorganism, and as occasion demands, carrying out amidation of the ester group and then carrying out reduction of the amido group. (each of the substituents is as described in claim 1).

  本发明的目的是提供3-羟基-3-(2-噻吩基)丙酰胺，作为制药制剂等的合成中间体，以及使用具有高反应产率、高光学产率和工业低成本的方法来获得光学活性的3-氨基-1-(2-噻吩基)-1-丙醇。根据本发明，在β-酮羰基化合物具有噻吩环的催化剂存在下进行不对称还原，所述催化剂由周期表中第VIII或IX族金属化合物（例如钌化合物）和具有特定光学活性的二胺衍生物（例如二苯乙烯二胺衍生物）表示的不对称配体组成，或使用微生物的细胞、处理后的细胞产物或类似物，必要时进行酰胺化酯基团，然后进行酰胺基团还原，从而得到3-氨基-1-(2-噻吩基)-1-丙醇。（所述取代基如权利要求1所述）
• Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives
  申请人：Berendes Frank

  公开号：US20060264641A1

  公开（公告）日：2006-11-23

  The invention relates to a process for preparing enantiomer-enriched 3-heteroaryl-3-hydroxypropanoic acid derivatives and 3-heteroaryl-1-aminopropan-3-ols, and to their use.

  本发明涉及一种制备对映富集的3-杂环基-3-羟基丙酸衍生物和3-杂环基-1-氨基丙醇的方法，以及它们的应用。
• 3-HYDROXY-3-(2-THIENYL)PROPIONAMIDE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING 3-AMINO-1-(2-THIENYL)-1-PROPANOL COMPOUND THEREFROM
  申请人：Mitsubishi Chemical Corporation

  公开号：EP1486493A1

  公开（公告）日：2004-12-15

  The object of the present invention is to provide 3-hydroxy-3-(2-thienyl)propionamides useful as synthesis intermediates of pharmaceutical preparations and the like and a method for obtaining optically active 3-amino-1-(2-thienyl)-1-propanols using the same with high reaction yield, high optical yield and industrially low cost. According to the present invention, 3-amino-1-(2-thienyl)-1-propanols are obtained by carrying out asymmetric reduction of a β-ketocarbonyl compound having thiophene ring in the presence of a catalyst constituted from a compound of a group VIII or IX metal in the periodic table (e.g., a ruthenium compound) and an asymmetric ligand represented by a specified optically active diamine derivative (e.g., a diphenylethylenediamine derivative), or using a cell, a treated product of said cell or the like of a microorganism, and as occasion demands, carrying out amidation of the ester group and then carrying out reduction of the amido group.

  本发明的目的是提供可用作药物制剂等合成中间体的 3-羟基-3-(2-噻吩基)丙酰胺，以及用其获得光学活性 3-氨基-1-(2-噻吩基)-1-丙醇的高反应产率、高光学产率和工业低成本的方法。 根据本发明，3-氨基-1-(2-噻吩基)-1-丙醇是通过在由元素周期表中第八或第九 族金属化合物（如钌化合物）和催化剂存在下，对具有噻吩环的β-酮羰基化合物进 行不对称还原而获得的、钌化合物）和以特定光学活性二胺衍生物（如二苯基乙二胺衍生物）为代表的不对称配体，或使用微生物的细胞、所述细胞的处理产物或类似物，并根据需要进行酯基的酰胺化，然后进行氨基的还原。