(S)-2-Amino-1-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-yl]-3-phenyl-propan-1-ol | 500997-38-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-2-Amino-1-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-yl]-3-phenyl-propan-1-ol
• CAS: 500997-38-6
• 化学式: C₁₈H₂₁N₅O
• 分子量: 323.398
• InChiKey: LXQJBOVQBKRAMU-MYJWUSKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.85
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-2-Amino-1-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-yl]-3-phenyl-propan-1-ol 、 alkaline earth salt of/the/ methylsulfuric acid 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 N-[(2S)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
  参考文献：
  名称：

  Rapid generation of cis-constrained norstatine analogs using a TMSN3-modified Passerini MCC/N-capping strategy

  摘要：

  A novel application of the TMSN3-modified Passerini three-component reaction is disclosed for the rapid solution phase synthesis of cis constrained norstatine mimetic libraries. The reaction of an N-BOC-alpha-amino aldehyde, an isocyanide and trimethylsilylazide in dichloromethane, followed by deprotection and N-capping with TFP esters affords cis constrained norstatine mimetics. This efficient protocol, producing products with three diversity points, can be used to generate arrays of biologically relevant small molecules for protease targeted screening. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01505-8
• 作为产物：
  描述：

  {(1S)-1-benzyl-2-[1-(2,6-dimethylphenyl)-1H-terazole-5-yl]-2-hydroxyethyl}carbamic acid tert-butyl ester 在 四丁基氟化铵 作用下， 生成 (S)-2-Amino-1-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-yl]-3-phenyl-propan-1-ol
  参考文献：
  名称：

  Rapid generation of cis-constrained norstatine analogs using a TMSN3-modified Passerini MCC/N-capping strategy

  摘要：

  A novel application of the TMSN3-modified Passerini three-component reaction is disclosed for the rapid solution phase synthesis of cis constrained norstatine mimetic libraries. The reaction of an N-BOC-alpha-amino aldehyde, an isocyanide and trimethylsilylazide in dichloromethane, followed by deprotection and N-capping with TFP esters affords cis constrained norstatine mimetics. This efficient protocol, producing products with three diversity points, can be used to generate arrays of biologically relevant small molecules for protease targeted screening. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01505-8