trimethyl <αR,α'R,α''R>-α,α',α''-tri(4-benzyloxyphenyl)hexahydro-1,3,5-triazine-1,3,5-triacetate | 63856-16-6

• 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: trimethyl <αR,α'R,α''R>-α,α',α''-tri(4-benzyloxyphenyl)hexahydro-1,3,5-triazine-1,3,5-triacetate
• 英文别名: trimethyl [αR,α'R,α''R]-α,α',α''-tri(4-benzyloxyphenyl)hexahydro-1,3,5-triazine-1,3,5-triacetate；methyl (2R)-2-[3,5-bis[(1R)-2-methoxy-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-1,3,5-triazinan-1-yl]-2-(4-phenylmethoxyphenyl)acetate
• CAS: 63856-16-6
• 化学式: C₅₁H₅₁N₃O₉
• 分子量: 849.981
• InChiKey: AEBYTJMSTMTSEA-VJOZVQJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  63
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  {(N,N-dibenzylamino)methylene}chromium(0) pentacarbonyl 、 trimethyl <αR,α'R,α''R>-α,α',α''-tri(4-benzyloxyphenyl)hexahydro-1,3,5-triazine-1,3,5-triacetate 生成 methyl (R)-2-(4-(benzyloxy)phenyl)-2-(3-(dibenzylamino)-2-oxoazetidin-1-yl)acetate
  参考文献：
  名称：

  HEGEDUS, LOUIS S.;DANDREA, STAN, J. ORG. CHEM., 53,(1988) N 13, 3113-3116

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl (D)-p-benzyloxyphenylglycine hydrochloride 以58%的产率得到
  参考文献：
  名称：

  NAKAGUCHI, OSAMU;OKU, TERUO;TAKENO, HIDEKAZU;HASHIMOTO, MASASHI;KAMIYA, T+, CHEM. AND PHARM. BULL., 35,(1987) N 10, 3985-3994

  摘要：

  DOI：

文献信息

• Enantioselective synthesis of monocyclic .BETA.-lactams related to nocardicins via (2+2) cycloaddition reaction.
  作者：OSAMU NAKAGUCHI、TERUO OKU、HIDEKAZU TAKENO、MASASHI HASHIMOTO、TAKASHI KAMIYA

  DOI：10.1248/cpb.35.3985

  日期：——

  Monocyclic β-lactams related to nocardicins were enantioselectively synthesized from phthal-imidoacetyl chloride and hexahydro-1, 3, 5-triazines (4) via a [2+2] cycloaddition reaction. The preparation and biological activity of some typical acyl derivatives are also described.

  与诺卡菌素相关的单环β-内酰胺是通过[2+2]环加成反应，从邻苯二甲酰亚胺氯化物和六氢-1, 3, 5-三嗪（4）选择性合成的。还描述了某些典型酰基衍生物的制备及生物活性。
• Synthesis of Enantiopure Pyrrolidine-Derived Peptidomimetics and Oligo-β-peptides via Nucleophilic Ring-Opening of β-Lactams
  作者：Alberto Macías、Antonio Morán Ramallal、Eduardo Alonso、Carlos del Pozo、Javier González

  DOI：10.1021/jo061189l

  日期：2006.9.1

  The synthesis of the two enantiomers of pyrrolidine-derived spiro β-lactams by resolution with d- and l-Boc phenylalanine is described. The potential of these optically active spiro β-lactams on the synthesis of peptidomimetics as analogues of melanostatin is evaluated. Theoretical studies of several models, at the Becke3LYP/6-31+G* level of theory, together with previous experimental evidences from

  d-和l拆分可合成吡咯烷衍生的螺β-内酰胺的两种对映体描述了-Boc苯丙氨酸。评估了这些旋光性螺旋β-内酰胺类在合成拟肽作为黑色素抑制素类似物方面的潜力。在Becke3LYP / 6-31 + G *的理论水平上对几种模型进行的理论研究，以及通过NMR收集的来​​自我们小组的先前实验证据，使我们能够设计能够有效模拟某些具有生物活性的肽型分子的结构。另一方面，螺-β-内酰胺已显示出其在制备β-肽中的效用。例如，合成高四-β-肽。为了获得具有潜在生物活性的更高的肽，这项研究将在未来继续进行。
• Synthesis of monocyclic .beta.-lactams by the photolytic reaction of chromium carbene complexes with s-1,3,5-triazines
  作者：Louis S. Hegedus、Stan D'Andrea

  DOI：10.1021/jo00248a039

  日期：1988.6
• Synthesis of optically active .beta.-lactams by the photolytic reaction of imines with optically active chromium carbene complexes. 2. Synthesis of 1-carbacephalothin and 3-ANA relays
  作者：Y. Narukawa、K. N. Juneau、D. Snustad、D. B. Miller、L. S. Hegedus

  DOI：10.1021/jo00046a030

  日期：1992.9

  A relay (3) to optically active 1-carbacephalothin (4) was prepared in modest yield with high stereoselectivity by the photochemical reaction of optically active chromium carbene complex 1 with functionalized imine 2. In contrast, the photochemical reaction of carbene complex 1 with imine precursors 15a,b to the nocardicins was much less stereoselective.
• HEGEDUS, LOUIS S.;DANDREA, STAN, J. ORG. CHEM., 53,(1988) N 13, 3113-3116
  作者：HEGEDUS, LOUIS S.、DANDREA, STAN

  DOI：——

  日期：——