18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid methyl ester | 497967-87-0

• 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: 18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid methyl ester
• CAS: 497967-87-0
• 化学式: C₂₃H₃₅NO₁₀
• 分子量: 485.532
• InChiKey: NZUYDKBQXLHINH-UHFFFAOYSA-N

物化性质

• 沸点：
  632.2±55.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  120.01
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid methyl ester 在 palladium on activated charcoal benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氨 、 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 144.0h， 生成 2,5,8,11,14,17,24,27,30,33,36,39-Dodecaoxa-20,41-diaza-dispiro[18.2.18.2]dotetracontane-21,42-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：

  (18-Amino-1,4,7,10,13,16-hexaoxa-cyclononadec-18-yl)-methanol; hydrochloride 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium hypochlorite 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 4.25h， 生成 18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-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