3-ethyl 1-methyl 1-(benzyloxycarbonylamino)-3-cyclopentene-1,3-dicarboxylate hydrochloride salt | 848437-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-ethyl 1-methyl 1-(benzyloxycarbonylamino)-3-cyclopentene-1,3-dicarboxylate hydrochloride salt
• 英文别名: 3-O-ethyl 1-O-methyl 1-(phenylmethoxycarbonylamino)cyclopent-3-ene-1,3-dicarboxylate
• CAS: 848437-38-7
• 化学式: C₁₈H₂₁NO₆
• 分子量: 347.368
• InChiKey: MUZCDUDDPLKWOG-UHFFFAOYSA-N

物化性质

• 沸点：
  481.3±45.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-ethyl 1-methyl 1-(benzyloxycarbonylamino)-3-cyclopentene-1,3-dicarboxylate hydrochloride salt 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 水 、 乙腈 为溶剂， 反应 38.0h， 生成 (1RS,4RS)-1-amino-4-phenyl-2-cyclopentene-1,3-dicarboxylic acid hydrochloride salt
  参考文献：
  名称：

  Synthesis and antagonist activities of 4-aryl-substituted conformationally restricted cyclopentenyl and cyclopentanyl-glutamate analogues

  摘要：

  The conformationally restricted glutamate analogues, 4-aryl-1-amino-2-cyclopentene-1,3-dicarboxylates and their cyclopentane analogues have been prepared in a diastereoselective manner. Biological studies of 12a and 12b indicates that both compounds are modest antagonists at mGluR2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.12.024
• 作为产物：
  描述：

  3-ethyl 1-methyl 1-amino-3-cyclopentene-1,3-dicarboxylate hydrochloride salt 、 氯甲酸苄酯 在 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以97%的产率得到3-ethyl 1-methyl 1-(benzyloxycarbonylamino)-3-cyclopentene-1,3-dicarboxylate hydrochloride salt
  参考文献：
  名称：

  Synthesis and antagonist activities of 4-aryl-substituted conformationally restricted cyclopentenyl and cyclopentanyl-glutamate analogues

  摘要：

  The conformationally restricted glutamate analogues, 4-aryl-1-amino-2-cyclopentene-1,3-dicarboxylates and their cyclopentane analogues have been prepared in a diastereoselective manner. Biological studies of 12a and 12b indicates that both compounds are modest antagonists at mGluR2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.12.024

文献信息

• Synthesis and antagonist activities of 4-aryl-substituted conformationally restricted cyclopentenyl and cyclopentanyl-glutamate analogues
  作者：Alison T. Ung、Stephen G. Pyne、Uta Batenburg-Nguyen、Andrew S. Davis、Azlifa Sherif、François Bischoff、Anne S.J. Lesage

  DOI：10.1016/j.tet.2004.12.024

  日期：2005.2

  The conformationally restricted glutamate analogues, 4-aryl-1-amino-2-cyclopentene-1,3-dicarboxylates and their cyclopentane analogues have been prepared in a diastereoselective manner. Biological studies of 12a and 12b indicates that both compounds are modest antagonists at mGluR2. (C) 2004 Elsevier Ltd. All rights reserved.