Methyl 2-(2-oxo-2-phenylethyl)aminoisobutyrate | 322392-78-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 2-(2-oxo-2-phenylethyl)aminoisobutyrate
• 英文别名: Methyl 2-methyl-2-(phenacylamino)propanoate
• CAS: 322392-78-9
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: FPKGDNFRTUCAIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-oxo-2-phenylethyl)aminoisobutyrate 、 氨 在 sodium cyanoborohydride 、 丙酮 作用下， 以 甲醇 为溶剂， 以48%的产率得到3,3-dimethyl-6-phenylpiperazin-2-one
  参考文献：
  名称：

  Convenient synthesis of 1,3-substituted-6-phenylpiperazin-2-ones

  摘要：

  The convenient preparation of novel 6-phenylpiperazin-2-ones from simple starting materials via a practical two-step procedure is presented. This methodology involves an initial alkylation of 2-bromoacetophenone with an amino ester followed by a one-pot reductive amination and cyclization step to furnish the desired substituted piperazinones. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.036
• 作为产物：
  描述：

  2-氨基异丁酸甲酯盐酸盐 、 2-溴苯乙酮 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以54%的产率得到Methyl 2-(2-oxo-2-phenylethyl)aminoisobutyrate
  参考文献：
  名称：

  Convenient synthesis of 1,3-substituted-6-phenylpiperazin-2-ones

  摘要：

  The convenient preparation of novel 6-phenylpiperazin-2-ones from simple starting materials via a practical two-step procedure is presented. This methodology involves an initial alkylation of 2-bromoacetophenone with an amino ester followed by a one-pot reductive amination and cyclization step to furnish the desired substituted piperazinones. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.036

文献信息

• Novel thiazine derivatives
  申请人：SANTEN PHARMACEUTICAL CO.,LTD.

  公开号：US20040097496A1

  公开（公告）日：2004-05-20

  A compound having 3-oxo-3,4-dihydro-2H-1,4-thiazine 4-tetrahydropyrazine as a main skeleton. The compound is a chymase inhibitor and is represented by the following formula [I] and salts thereof: 1 In the formula [I], X is S; R 1 and R 2 are H, alkyl, cycloalkyl or aryl; R 3 and R 4 are H, alkyl, cycloalkyl, aryl or an aromatic heterocycle; R 5 is H, alkyl, cycloalkyl, aryl or -A 3 -A 4 -R 7 ; R 6 is H, alkyl, cycloalkyl, hydroxy, alkoxy, aryl, aryloxy or an aromatic heterocycle; R 7 is H, alkyl, hydroxy, alkoxy, aryl, aryloxy, amino, alkylamino, arylamino, an aromatic heterocycle or a nonaromatic heterocycle; A 1 is alkylene; A 2 is carbonyl or sulfonyl; A 3 is alkylene; A 4 is carbonyl or oxalyl; and n is 0 or 1.

  化合物具有3-氧代-3,4-二氢-2H-1,4-噻嗪-4-四氢吡嗪作为主要骨架。该化合物是一种Chymase抑制剂，由以下公式[I]及其盐所表示：1在公式[I]中，X为S；R1和R2为H，烷基，环烷基或芳基；R3和R4为H，烷基，环烷基，芳基或芳香族杂环；R5为H，烷基，环烷基，芳基或-A3-A4-R7；R6为H，烷基，环烷基，羟基，烷氧基，芳基，芳氧基或芳香族杂环；R7为H，烷基，羟基，烷氧基，芳基，芳氧基，氨基，烷基氨基，芳基氨基，芳香族杂环或非芳香族杂环；A1为烷基；A2为羰基或磺酰基；A3为烷基；A4为羰基或草酰基；n为0或1。
• NOVEL THIAZINE OR PYRAZINE DERIVATIVES
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1211249A1

  公开（公告）日：2002-06-05

  An object of the present invention is to synthesize novel compounds having 3-oxo-3, 4-dihydro-2H-1, 4-thiazine or 2-oxo-1, 2, 3, 4-tetrahydropyrazine as a main skeleton. The present invention relates to compounds represented by the following general formula [I] and salts thereof. In the formula, X is S or R6-(A2)n-N, R1 and R2 are H, alkyl, cycloalkyl or aryl, R3 and R4 are H, alkyl, cycloalkyl, aryl or aromatic heterocycles, R5 is H, alkyl, cycloalkyl, aryl or -A3-A4-R7, R6 is H, alkyl, cycloalkyl, OH, alkoxy, aryl, aryloxy or an aromatic heterocycle, R7 is H, alkyl, OH, alkoxy, aryl, aryloxy, amino, alkylamino, arylamino, an aromatic heterocycle or a nonaromatic heterocycle, A1 is alkylene, A2 is carbonyl or sulfonyl, A3 is alkylene, and A4 is carbonyl or oxalyl.

  本发明的目的是合成以3-氧代-3，4-二氢-2H-1，4-噻嗪或2-氧代-1，2，3，4-四氢吡嗪为主要骨架的新型化合物。本发明涉及由以下通式[I]代表的化合物及其盐类。式中，X 是 S 或 R6-(A2)n-N，R1 和 R2 是 H、烷基、环烷基或芳基，R3 和 R4 是 H、烷基、环烷基、芳基或芳香杂环，R5 是 H、烷基、环烷基、芳基或 -A3-A4-R7，R6 是 H、烷基、环烷基、OH、烷氧基、芳基、R7是H、烷基、OH、烷氧基、芳基、芳氧基、氨基、烷基氨基、芳基氨基、芳香杂环或非芳香杂环，A1是亚烷基，A2是羰基或磺酰基，A3是亚烷基，A4是羰基或草酰基。
• US6713472B1
  申请人：——

  公开号：US6713472B1

  公开（公告）日：2004-03-30
• US6960575B2
  申请人：——

  公开号：US6960575B2

  公开（公告）日：2005-11-01