methyl 2-(2-chloroethyl)-2-devinylpyropheophorbide a | 96806-73-4

• 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: methyl 2-(2-chloroethyl)-2-devinylpyropheophorbide a
• CAS: 96806-73-4
• 化学式: C₃₄H₃₇ClN₄O₃
• 分子量: 585.146
• InChiKey: OMNUEKIQSVZOOX-KFCORYJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.63
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  100.73
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-chloroethyl)-2-devinylpyropheophorbide a 、 copper(II) acetate monohydrate 以 甲醇 、 二氯甲烷 为溶剂， 生成 copper(II) methyl 2-(2-chloroethyl)-2-devinylpyropheophorbide a
  参考文献：
  名称：

  The meso substitution of chlorophyll derivatives: direct route for transformation of bacteriopheophorbides d into bacteriopheophorbides c.

  摘要：

  DOI：

  10.1021/ja00303a021

文献信息

• Synthesis of amino-analogs of bacteriochlorophyll-d and their self-aggregation in an aqueous micelle solution
  作者：Hitoshi Tamiaki、Tomoaki Nagai、Keisuke Mizutani、Shinnosuke Machida

  DOI：10.1016/j.bmcl.2014.02.062

  日期：2014.4

  Zinc methyl 3-aminomethyl- and 3-(1-aminoethyl)-pyropheophorbides-alpha were prepared by modifying naturally occurring chlorophyll-alpha. The synthetic amino-analogs of bacteriochlorophyll-d self-aggregated in an aqueous micelle solution to give large oligomers with red-shifted and broadened electronic absorption bands. The spectra of these self-aggregates were similar to those of bacteriochlorophyll self-aggregates in the main light-harvesting antennas of green photosynthetic bacteria. The 3(1)-amino groups were alternative to the 3(1)-hydroxy groups in natural bacteriochlorophylls-c/d/e/f. (C) 2014 Elsevier Ltd. All rights reserved.