Boc-(Nall)Gly-(Nall)Gly-OEt | 292849-73-1

• 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: Boc-(Nall)Gly-(Nall)Gly-OEt
• 英文别名: Ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
• CAS: 292849-73-1
• 化学式: C₁₇H₂₈N₂O₅
• 分子量: 340.42
• InChiKey: ZOOFPQVKOLJEDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Boc-(Nall)Gly-(Nall)Gly-OEt 在 ruthenium trichloride 、 sodium hydroxide 、 sodium periodate 、 三氟乙酸 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 [(2-{4,7-Bis-[(bis-tert-butoxycarbonylmethyl-carbamoyl)-methyl]-2,5,8-trioxo-[1,4,7]triazonan-1-yl}-acetyl)-tert-butoxycarbonylmethyl-amino]-acetic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of N-substituted cyclic triglycines and their response to metal ions

  摘要：

  N,N',N"-Trisubstituted-cyclo-triglycines were synthesized. The major conformation of these compounds has C-3 symmetry, and the carbonyl groups and substituents on the nitrogen are inclined in the same direction. Their response to various metal ions was estimated by constructing ion-selective electrodes. Two of them responded selectively to Ca2+ over other cations, demonstrating that N,N',N"trisubstituted- cyclo-triglycines provide a new scaffold to act as host molecules. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.214
• 作为产物：
  描述：

  N-(2-丙烯基)甘氨酸乙酯 在 sodium hydroxide 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 19.5h， 生成 Boc-(Nall)Gly-(Nall)Gly-OEt
  参考文献：
  名称：

  Synthesis of Cyclic Dipeptides by Ring-Closing Metathesis

  摘要：

  Several cyclic dipeptides (4a-g and 9a-c) have been synthesized by "amide-to-amide" cyclization of 2a-g and 8a-c, respectively, by means of ring-closing metathesis employing the Grubbs ruthenium catalyst. The influence of additives as well as the length of the amide substituent were studied. Best yields were obtained by cyclization in solution with either lithium fluoroacetate or alpha,alpha-dichlorotoluene as an additive.

  DOI：

  10.1002/1099-0690(200006)2000:12<2335::aid-ejoc2335>3.0.co;2-c