2-Benzyloxycarbonylamino-2-trifluoromethyl-hexanedioic acid 1-methyl ester | 129398-32-9

• 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: 2-Benzyloxycarbonylamino-2-trifluoromethyl-hexanedioic acid 1-methyl ester
• 英文别名: 6,6,6-Trifluoro-5-methoxycarbonyl-5-(phenylmethoxycarbonylamino)hexanoic acid
• CAS: 129398-32-9
• 化学式: C₁₆H₁₈F₃NO₆
• 分子量: 377.317
• InChiKey: ONEWAZGFFDJXMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-Benzyloxycarbonylamino-2-trifluoromethyl-hexanedioic acid 1-methyl ester 在 吡啶 、 ammonium hydroxide 、 N,N'-二环己基碳二亚胺 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 甲醇 为溶剂， 生成 Methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pentanoate
  参考文献：
  名称：

  First Synthesis of Totally Orthogonal Protected α-(Trifluoromethyl)- and α-(Difluoromethyl)arginines

  摘要：

  The first synthesis of a series of totally orthogonal protected racemic alpha-(trifluoromethyl)- and alpha-(difluoromethyl)arginines is described. The key steps of the synthesis are the mild guanidinylation procedure and the selective hydrogenation of a CC triple bond in the presence of a Cbz-group.

  DOI：

  10.1021/jo0009043
• 作为产物：
  描述：

  2-Benzyloxycarbonylamino-2-trifluoromethyl-hept-6-enoic acid methyl ester 在 potassium permanganate 、 硫酸 作用下， 生成 2-Benzyloxycarbonylamino-2-trifluoromethyl-hexanedioic acid 1-methyl ester
  参考文献：
  名称：

  First Synthesis of Totally Orthogonal Protected α-(Trifluoromethyl)- and α-(Difluoromethyl)arginines

  摘要：

  The first synthesis of a series of totally orthogonal protected racemic alpha-(trifluoromethyl)- and alpha-(difluoromethyl)arginines is described. The key steps of the synthesis are the mild guanidinylation procedure and the selective hydrogenation of a CC triple bond in the presence of a Cbz-group.

  DOI：

  10.1021/jo0009043

文献信息

• BURGER, KLAUS;GAA, KARL, CHEM.-ZTG., 114,(1990) N, C. 101-104
  作者：BURGER, KLAUS、GAA, KARL

  DOI：——

  日期：——
• First Synthesis of Totally Orthogonal Protected α-(Trifluoromethyl)- and α-(Difluoromethyl)arginines
  作者：Maurizio Moroni、Beate Koksch、Sergey N. Osipov、Marcello Crucianelli、Massimo Frigerio、Pierfrancesco Bravo、Klaus Burger

  DOI：10.1021/jo0009043

  日期：2001.1.1

  The first synthesis of a series of totally orthogonal protected racemic alpha-(trifluoromethyl)- and alpha-(difluoromethyl)arginines is described. The key steps of the synthesis are the mild guanidinylation procedure and the selective hydrogenation of a CC triple bond in the presence of a Cbz-group.