3-benzylamino-1-phenyl-propan-1-one mesylate | 906812-55-3

• 英文名称: 3-benzylamino-1-phenyl-propan-1-one mesylate
• 英文别名: 3-(Benzylamino)-1-phenylpropan-1-one;methanesulfonic acid
• CAS: 906812-55-3
• 化学式: CH₄O₃S*C₁₆H₁₇NO
• 分子量: 335.424
• InChiKey: XLOAFONKOIVMCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS
  申请人：Brieden Walter

  公开号：US20120316350A1

  公开（公告）日：2012-12-13

  A process for the preparation of N-monosubstituted β-aminoalcohol sulfonates of formula (1a), (1b): wherein R 1 is C 6-20 -aryl or C 4-12 -heteroaryl, each optionally being substituted with one or more halogen atoms and/or one or more C 1-4 -alkyl or C 1-4 -alkoxy groups, R 2 is C 1-4 -alkyl or C 6-20 -aryl, each aryl optionally being substituted with one or more halogen atoms and/or one or more C 1-4 -alkyl or C 1-4 -alkoxy groups, and wherein R 3 is selected from the group consisting of C 1-18 -alkyl, C 6-20 -cycloalkyl, C 6-20 -aryl and C 7-20 -aralkyl residues; including a) reacting a methyl ketone, a primary amine, formaldehyde and a sulfonic acid, at a pressure above 1.5 bar, optionally in a organic solvent, said organic solvent which can include water to provide N-monosubstituted β-aminoketone sulfonates of formula (II): wherein R 1 , R 2 and R 3 are as defined above, and b) asymmetrically hydrogenating.

  一种制备式(1a)、(1b)的N-单取代β-氨基醇磺酸盐的方法，其中R1为C6-20芳基或C4-12杂芳基，每个芳基可选择性地被一个或多个卤素原子和/或一个或多个C1-4烷基或C1-4烷氧基取代，R2为C1-4烷基或C6-20芳基，每个芳基可选择性地被一个或多个卤素原子和/或一个或多个C1-4烷基或C1-4烷氧基取代，而R3从C1-18烷基、C6-20环烷基、C6-20芳基和C7-20芳基烷基残基中选择；包括a)在压力高于1.5巴的条件下，选择性地在有机溶剂中反应甲基酮、一级胺、甲醛和磺酸，所述有机溶剂可包括水，从而提供式(II)的N-单取代β-氨基酮磺酸盐：其中R1、R2和R3如上所定义；b)不对称氢化。
• Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols
  申请人：Brieden Walter

  公开号：US20090156833A1

  公开（公告）日：2009-06-18

  A process for the preparation of N-monosubstituted β-aminoalcohol sulfonates of formula (Ia), (Ib): wherein R 1 is C 6-20 -aryl or C 4-12 -heteroaryl, each optionally being substituted with one or more halogen atoms and/or one or more C 1-4 -alkyl or C 1-4 -alkoxy groups, R 2 is C 1-4 -alkyl or C 6-20 -aryl, each aryl optionally being substituted with one or more halogen atoms and/or one or more C 1-4 -alkyl or C 1-4 -alkoxy groups and wherein R 3 is selected from the group consisting of C 1-18 -alkyl, C 6-20 -cycloalkyl, C 6-20 -aryl and C 7-20 -aralkyl residues. The process has the steps of (a) reacting a methyl ketone, a primary amine, formaldehyde and a sulfonic acid, at a pressure above 1.5 bar, optionally in a organic solvent, the organic solvent optionally containing water, to afford N-monosubstituted β-aminoketone sulfonates of formula (II): wherein R 1 , R 2 and R 3 are as defined above, and (b) asymmetrically hydrogenating. The sulfonates in the presence of a base and a catalyst of a transition metal and a disphosphine ligand, in a polar solvent, optionally in the presence of water.

  一种制备公式（Ia），（Ib）的N-单取代β-氨基醇磺酸盐的方法：其中R1是C6-20芳基或C4-12杂芳基，每个选项可用一个或多个卤素原子和/或一个或多个C1-4烷基或C1-4烷氧基置换，R2是C1-4烷基或C6-20芳基，每个芳基可用一个或多个卤素原子和/或一个或多个C1-4烷基或C1-4烷氧基置换，其中R3选自由C1-18烷基，C6-20环烷基，C6-20芳基和C7-20芳基烷基残基组成的群。该过程的步骤为：（a）在压力大于1.5巴的情况下，将甲基酮，一级胺，甲醛和磺酸反应，可选地在有机溶剂中，所述有机溶剂可选地包含水，以得到公式（II）的N-单取代β-氨基酮磺酸盐：其中R1，R2和R3如上所述，以及（b）在极性溶剂中，在碱和过渡金属和双膦配体的催化剂存在下，可选地在水的存在下，对磺酸盐进行不对称氢化。
• US8258338B2
  申请人：——

  公开号：US8258338B2

  公开（公告）日：2012-09-04
• US8501967B2
  申请人：——

  公开号：US8501967B2

  公开（公告）日：2013-08-06