ms-(4''-methoxyphenyl)-5,5'-dicarbethoxy-4,4'-dimethyl-3,3'-diethyldipyrrolylmethane | 126380-11-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ms-(4''-methoxyphenyl)-5,5'-dicarbethoxy-4,4'-dimethyl-3,3'-diethyldipyrrolylmethane
• 英文别名: ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)-(4-methoxyphenyl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
• CAS: 126380-11-8
• 化学式: C₂₈H₃₆N₂O₅
• 分子量: 480.604
• InChiKey: AGMLWVVTGMGONS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.41
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ms-(4''-methoxyphenyl)-5,5'-dicarbethoxy-4,4'-dimethyl-3,3'-diethyldipyrrolylmethane 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 生成 ms-(4'-methoxyphenyl)-4,4'-dimethyl-3,3'-diethyldipyrropylmethane
  参考文献：
  名称：

  Synthesis and spectrophotometric study of acidic and complexing properties of 5,15-bis(4′-methoxyphenyl)-10,20-bis(4″-nitrophenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetraethylporphyn in acetonitrile

  摘要：

  5,15-Bis(4'-methoxyphenyl)-10,20-bis(4aEuro(3)-nitrophenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetraethylporphyne was synthesized and studied spectrophotometrically in the systems 1,8-diazabicyclo[5.4.0]undec-7-ene-acetonitrile, Zn(OAc)(2)-acetonitrile, 1,8-diazabicyclo[5.4.0]undec-7-ene-Zn(OAc)(2)-acetonitrile. The orders of acidity and kinetic activity were obtained for methoxyphenyl alkyl derivatives of porphyrins in these systems.

  DOI：

  10.1134/s1070363215030196
• 作为产物：
  描述：

  4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯 在 盐酸 、 磺酰氯 、 碘 、 sodium acetate 、 potassium iodide 、 tin(ll) chloride 作用下， 以 乙醇 、 水 为溶剂， 反应 19.17h， 生成 ms-(4''-methoxyphenyl)-5,5'-dicarbethoxy-4,4'-dimethyl-3,3'-diethyldipyrrolylmethane
  参考文献：
  名称：

  Mamardashvili, N. Zh.; Semeikin, A. S.; Golubchikov, O. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 6.2, p. 1007 - 1015

  摘要：

  DOI：

文献信息

• A Synthesis of Unsymmetric Porphyrin Dimers
  作者：Kazuhiro Maruyama、Toshi Nagata、Noboru Ono、Atsuhiro Osuka

  DOI：10.1246/bcsj.62.3167

  日期：1989.10

  A new synthetic method of porphyrins via bis(hydroxymethyl)dipyrromethanes is described. This new method can be utilized for preparation of several unsymmetric porphyrin dimers.

  描述了一种通过双（羟甲基）二吡咯甲烷合成卟啉的新方法。这种新方法可用于制备几种不对称卟啉二聚体。
• Synthesis and spectrophotometric study of acidic and complexation properties of 5,15-bis(4′-methoxyphenyl)-2,8,12,18-tetramethyl-3,7,10,13,17,20-hexaethylporphyrin and 5,15-bis(4′-methoxyphenyl)-10,20-diphenyl-2,8,12,18-tetramethyl-3,7,13,17-tetraethylporphyrin in acetonitrile
  作者：Yu. B. Ivanova、N. Zh. Mamardashvili、A. V. Glazunov、A. S. Semeikin

  DOI：10.1134/s107036321411022x

  日期：2014.11

  Synthesis of 5,15-bis(4'-methoxyphenyl)-2,8,12,18-tetramethyl-3,7,10,13,17,20-hexaethylporphyrin and 5,15-bis(4'-methoxyphenyl)-10,20-diphenyl-2,8,12,18-tetramethyl-3,7,13,17-tetraethylporphyrin is reported. Spectrophotometric study of acidic and complexation properties of these compounds in the DBU-CH3CN, CH3CN-Zn(OAc)(2) and DBU-CH3CN-Zn(OAc)(2) systems has been carried out. Kinetic parameters of the zinc complexes formation via molecular and ionic routes have been determined. The influence of structural factors on reactivity of the tetrapyrrole macrocycles is discussed.
• MARUYAMA, KAZUHIRO;NAGATA, TOSHI;ONO, NOBORU;OSUKA, ATSUHIRO, BULL. CHEM. SOC. JAP., 62,(1989) N0, C. 3157-3170
  作者：MARUYAMA, KAZUHIRO、NAGATA, TOSHI、ONO, NOBORU、OSUKA, ATSUHIRO

  DOI：——

  日期：——