3,17-Diethyl-8,12-di(2-methoxycarbonylethyl)-2,7,13-trimethylbilin-1,5,19(4H,21H,24H)-trione | 149915-34-4

• 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: 3,17-Diethyl-8,12-di(2-methoxycarbonylethyl)-2,7,13-trimethylbilin-1,5,19(4H,21H,24H)-trione
• 英文别名: 3,3'-(3,17-diethyl-2,7,13,18-tetramethyl-1,5,19-trioxo-4,5,19,21,22,24-hexahydro-1H-bilin-8,12-diyl)-di-propionic acid dimethyl ester；3,3'-(3,17-Diaethyl-2,7,13,18-tetramethyl-1,5,19-trioxo-4,5,19,21,22,24-hexahydro-1H-bilin-8,12-diyl)-di-propionsaeure-dimethylester
• CAS: 149915-34-4
• 化学式: C₃₅H₄₂N₄O₇
• 分子量: 630.741
• InChiKey: DOKSDMFVLWLRLU-FHOIBDKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  46.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  156.02
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氯仿 、 水 、 溴 作用下， 生成 3,17-Diethyl-8,12-di(2-methoxycarbonylethyl)-2,7,13-trimethylbilin-1,5,19(4H,21H,24H)-trione
  参考文献：
  名称：

  Siedel; Grams, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1941, vol. 267, p. 49,70

  摘要：

  DOI：

文献信息

• Reaktivität von Pyrrolpigmenten, 15 Mitt.: Über die Oxidation von Bilirubinen und Biliverdinen
  作者：C. Acero、J. M. Ribó、R. Solé、F. R. Trull

  DOI：10.1007/bf00814136

  日期：1993.4

  Characteristic oxidation reactions of bilin-1,19-diones (biliverdins) and biladien-ac-1,19-diones (bilirubins) were reinvestigated. These include bromine and iodine oxidation of biliverdin IXalpha bilirubin IXalpha and their Zn(II) complexes, the reaction described by Siedel (1941) of mesobilirubin XIIIalpha dimethyl ester with nitric acid (Gmelin reaction) and Smith's oxidation (1977) of etiobiliverdin IVgamma using Tl triacetate and Pb tetra-acetate. For some of these reaction products new structures were assigned on the basis of their spectrometric data. These structures agreed with the expected reactivity pattern of biliverdins and bilirubins.
• Siedel; Froewis, Hoppe-Seyler´s Zeitschrift für physiologische Chemie, 1941, vol. 267, p. 37,45
  作者：Siedel、Froewis

  DOI：——

  日期：——