Boc-(Nall)Leu-OH | 292850-02-3

• 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)Leu-OH
• CAS: 292850-02-3
• 化学式: C₁₄H₂₅NO₄
• 分子量: 271.357
• InChiKey: LGKHWIORINQICA-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.84
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Boc-(Nall)Leu-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 17.0h， 生成 tert-butyl (2S,6Z)-4-(2-ethoxy-2-oxoethyl)-2-(2-methylpropyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate
  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：

  二碳酸二叔丁酯 在 sodium hydroxide 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 9.0h， 生成 Boc-(Nall)Leu-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