Boc-(Nhal)Gly-OH | 292850-11-4

• 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-(Nhal)Gly-OH
• 英文别名: N-(But-3-en-1-yl)-N-(tert-butoxycarbonyl)glycine；2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
• CAS: 292850-11-4
• 化学式: C₁₁H₁₉NO₄
• 分子量: 229.276
• InChiKey: JQSPACYLRLQGAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Boc-(Nhal)Gly-OH 在 Grubbs catalyst first generation N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 、 1,1,2-三氯乙烷 为溶剂， 反应 32.0h， 生成 (Z)-4-Methoxycarbonylmethyl-3-oxo-3,4,5,6,9,10-hexahydro-2H-[1,4]diazecine-1-carboxylic acid tert-butyl ester
  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
• 作为产物：
  描述：

  pNBS-(Nhal)Gly-OMe 在 potassium carbonate 、 苯硫酚 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 Boc-(Nhal)Gly-OH
  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

文献信息

• ANTIVIRAL COMPOUNDS
  申请人：Gilead Pharmasset LLC

  公开号：EP3309157A1

  公开（公告）日：2018-04-18

  The invention is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及抗病毒化合物、含有此类化合物的组合物、包括施用此类化合物的治疗方法，以及制备此类化合物的工艺和中间体。
• CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS
  申请人：Gilead Pharmasset LLC

  公开号：EP3778606A2

  公开（公告）日：2021-02-17

  The disclosure is related to intermediate compounds useful for preparing anti-viral compounds, and to methods for making intermediate compounds and anti-viral compounds.

  本公开涉及用于制备抗病毒化合物的中间体化合物，以及制备中间体化合物和抗病毒化合物的方法。