3-{5-[(2,2-Dimethoxy-ethylamino)-(4-methoxy-phenyl)-methyl]-tetrazol-1-yl}-3-phenyl-propionic acid ethyl ester | 869070-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-{5-[(2,2-Dimethoxy-ethylamino)-(4-methoxy-phenyl)-methyl]-tetrazol-1-yl}-3-phenyl-propionic acid ethyl ester
• 英文别名: Ethyl 3-[5-[(2,2-dimethoxyethylamino)-(4-methoxyphenyl)methyl]tetrazol-1-yl]-3-phenylpropanoate；ethyl 3-[5-[(2,2-dimethoxyethylamino)-(4-methoxyphenyl)methyl]tetrazol-1-yl]-3-phenylpropanoate
• CAS: 869070-94-0
• 化学式: C₂₄H₃₁N₅O₅
• 分子量: 469.541
• InChiKey: JGXBFLOIIVEZGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-{5-[(2,2-Dimethoxy-ethylamino)-(4-methoxy-phenyl)-methyl]-tetrazol-1-yl}-3-phenyl-propionic acid ethyl ester 在 sodium ethanolate 作用下， 以 四氢呋喃 为溶剂， 以36%的产率得到(2,2-Dimethoxy-ethyl)-[(4-methoxy-phenyl)-(1H-tetrazol-5-yl)-methyl]-amine
  参考文献：
  名称：

  New cleavable isocyanides for the combinatorial synthesis of α-amino acid analogue tetrazoles

  摘要：

  3-Substituted 3-isocyano propionates as new cleavable isocyanides in combinatorial tetrazole synthesis via Ugi-reaction are introduced. The obtained 5-substituted tetrazoles are transformed into carboxylic acid isosteric 5-substituted 1H-tetrazoles under basic cleavage conditions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.08.101
• 作为产物：
  描述：

  3-formylamino-3-phenyl-propionic acid ethyl ester 在 三乙胺 、 三氯氧磷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 3-{5-[(2,2-Dimethoxy-ethylamino)-(4-methoxy-phenyl)-methyl]-tetrazol-1-yl}-3-phenyl-propionic acid ethyl ester
  参考文献：
  名称：

  New cleavable isocyanides for the combinatorial synthesis of α-amino acid analogue tetrazoles

  摘要：

  3-Substituted 3-isocyano propionates as new cleavable isocyanides in combinatorial tetrazole synthesis via Ugi-reaction are introduced. The obtained 5-substituted tetrazoles are transformed into carboxylic acid isosteric 5-substituted 1H-tetrazoles under basic cleavage conditions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.08.101

文献信息

• New cleavable isocyanides for the combinatorial synthesis of α-amino acid analogue tetrazoles
  作者：Josef Mayer、Michael Umkehrer、Cédric Kalinski、Günther Ross、Jürgen Kolb、Christoph Burdack、Wolfgang Hiller

  DOI：10.1016/j.tetlet.2005.08.101

  日期：2005.10

  3-Substituted 3-isocyano propionates as new cleavable isocyanides in combinatorial tetrazole synthesis via Ugi-reaction are introduced. The obtained 5-substituted tetrazoles are transformed into carboxylic acid isosteric 5-substituted 1H-tetrazoles under basic cleavage conditions. (c) 2005 Elsevier Ltd. All rights reserved.