15-[(15-Amino-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carbonyl)-amino]-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carboxylic acid methyl ester | 497967-95-0

• 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: 15-[(15-Amino-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carbonyl)-amino]-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carboxylic acid methyl ester
• CAS: 497967-95-0
• 化学式: C₂₅H₄₆N₂O₁₃
• 分子量: 582.646
• InChiKey: RFTQUBAPHSFQDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.09
• 重原子数：
  40.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  173.72
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  15-[(15-Amino-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carbonyl)-amino]-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carboxylic acid methyl ester 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以62%的产率得到2,5,8,11,14,21,24,27,30,33-Decaoxa-18,36-diazadispiro[15.2.1519.216]hexatriacontane-17,35-dione
  参考文献：
  名称：

  α-Amino acids and dioxopiperazines crowned at the α-carbons with polyether macrorings. Synthesis, complexation and self-assembling properties

  摘要：

  Crowned alpha-amino acids 7a-c and their dioxopiperazine derivatives 12a-c were prepared from the easily accessible masked tris(hydroxymethyl)aminomethane 1. X-Ray crystal structures of the free as well as alkali metal ion coordinated compounds were investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01065-7
• 作为产物：
  描述：

  15-Benzyloxycarbonylamino-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carboxylic acid methyl ester 在 palladium on activated charcoal benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 120.0h， 生成 15-[(15-Amino-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carbonyl)-amino]-1,4,7,10,13-pentaoxa-cyclohexadecane-15-carboxylic acid methyl ester
  参考文献：
  名称：

  α-Amino acids and dioxopiperazines crowned at the α-carbons with polyether macrorings. Synthesis, complexation and self-assembling properties

  摘要：

  Crowned alpha-amino acids 7a-c and their dioxopiperazine derivatives 12a-c were prepared from the easily accessible masked tris(hydroxymethyl)aminomethane 1. X-Ray crystal structures of the free as well as alkali metal ion coordinated compounds were investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01065-7