(2S)-3-methyl-2-[5-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid | 258830-40-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-3-methyl-2-[5-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid
• CAS: 258830-40-9
• 化学式: C₁₆H₂₅N₃O₅
• 分子量: 339.392
• InChiKey: WTDMPZZRRDWYSW-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  93.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S)-3-methyl-2-[5-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid 在 氯化亚砜 、 Jones's reagent 作用下， 反应 4.0h， 生成
  参考文献：
  名称：

  New pyrazole containing bicarboxylic α-amino acids: mimics of the cis amide bond

  摘要：

  A series of novel optically active oc-amino acids, containing a pyrazole ring, which can be regarded as building blocks for peptidomimetics, have been prepared starting from readily available oc-amino acids. The synthetic strategy employed allows the regio- and stereoselective preparation of 1,3- or 1,5-substituted pyrazolyl rings. The pyrazole containing peptidomimetics can be considered as analogues of peptides with a cis amide bond. (C) 1999 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01847-x
• 作为产物：
  描述：

  N-carbamoyl-L-valine 在 氢氧化钾 、 sodium hypochlorite 、 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 14.5h， 生成 (2S)-3-methyl-2-[5-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid
  参考文献：
  名称：

  New pyrazole containing bicarboxylic α-amino acids: mimics of the cis amide bond

  摘要：

  A series of novel optically active oc-amino acids, containing a pyrazole ring, which can be regarded as building blocks for peptidomimetics, have been prepared starting from readily available oc-amino acids. The synthetic strategy employed allows the regio- and stereoselective preparation of 1,3- or 1,5-substituted pyrazolyl rings. The pyrazole containing peptidomimetics can be considered as analogues of peptides with a cis amide bond. (C) 1999 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01847-x

文献信息

• New pyrazole containing bicarboxylic α-amino acids: mimics of the cis amide bond
  作者：Lidia De Luca、Massimo Falorni、Giampaolo Giacomelli、Andrea Porcheddu

  DOI：10.1016/s0040-4039(99)01847-x

  日期：1999.12

  A series of novel optically active oc-amino acids, containing a pyrazole ring, which can be regarded as building blocks for peptidomimetics, have been prepared starting from readily available oc-amino acids. The synthetic strategy employed allows the regio- and stereoselective preparation of 1,3- or 1,5-substituted pyrazolyl rings. The pyrazole containing peptidomimetics can be considered as analogues of peptides with a cis amide bond. (C) 1999 Elsevier Science Ltd, All rights reserved.