18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid | 497967-82-5

• 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
• 英文别名: 18-(Phenylmethoxycarbonylamino)-1,4,7,10,13,16-hexaoxacyclononadecane-18-carboxylic acid；18-(phenylmethoxycarbonylamino)-1,4,7,10,13,16-hexaoxacyclononadecane-18-carboxylic acid
• CAS: 497967-82-5
• 化学式: C₂₂H₃₃NO₁₀
• 分子量: 471.505
• InChiKey: AXNHSLQANNOCAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 18-Amino-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
• 作为产物：
  描述：

  二对甲苯磺酸戊乙二醇 在 盐酸 、 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 氢氧化钾 、 sodium hypochlorite 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 19.0h， 生成 18-Benzyloxycarbonylamino-1,4,7,10,13,16-hexaoxa-cyclononadecane-18-carboxylic acid
  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

文献信息

• α-Amino acids and dioxopiperazines crowned at the α-carbons with polyether macrorings. Synthesis, complexation and self-assembling properties
  作者：Martin Bělohradský、Ivana Cı́sařová、Petr Holý、Jan Pastor、Jiřı́ Závada

  DOI：10.1016/s0040-4020(02)01065-7

  日期：2002.10

  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.