3,3',3'',3'''-(3,7,13,17-tetrakis-ethoxycarbonylmethyl-porphyrin-2,8,12,18-tetrayl)-tetra-propionic acid tetraethyl ester | 124360-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 3,3',3'',3'''-(3,7,13,17-tetrakis-ethoxycarbonylmethyl-porphyrin-2,8,12,18-tetrayl)-tetra-propionic acid tetraethyl ester
• 英文别名: 3,3',3'',3'''-(3,7,13,17-Tetrakis-aethoxycarbonylmethyl-porphyrin-2,8,12,18-tetrayl)-tetra-propionsaeure-tetraaethylester
• CAS: 124360-23-2
• 化学式: C₅₆H₇₀N₄O₁₆
• 分子量: 1055.19
• InChiKey: DEPWKHOREJSUDQ-JZQDRRJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  76.0
• 可旋转键数：
  28.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  267.76
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  乙醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 3,3',3'',3'''-(3,7,13,17-tetrakis-ethoxycarbonylmethyl-porphyrin-2,8,12,18-tetrayl)-tetra-propionic acid tetraethyl ester
  参考文献：
  名称：

  THE SYNTHESIS OF THE UROPORPHYRINS II AND IV

  摘要：

  尿卟啉II和尿卟啉IV已经通过合理的方法合成。前者还从先前合成的尿卟啉混合物中分离出来。

  DOI：

  10.1139/v56-230

文献信息

• Non-enzymic tetramisation of ethyl 3-(4-ethoxycarbonylmethyl-1H-pyrrol-3-yl)propionate with formaldehyde follows a similar course to the non-enzymic tetramisation of porphobilinogen
  作者：Kwai-Ming Cheung、Peter M Shoolingin-Jordan

  DOI：10.1016/s0040-4039(01)01160-1

  日期：2001.8

  The octaethyl esters of uroporphyrins were formed directly from ethyl 3-(4-ethoxy-earbonylmethyl-1H-pyrrol-3-yl)propionate and formalin in a yield of ca. 30% with the isomers I, II III and IV being formed in the ratio 1:1:4:2. Under anaerobic conditions, the colourless uroporphyrinogen esters were formed in a similar ratio. These observations parallel the non-enzymic formation of uroporphyrinogens from the naturally occurring tetrapyrrole precursor, porphobilinogen, highlighting the similarity in both tetramisation and isomerisation reactions. (C) 2001 Elsevier Science Ltd. All rights reserved.