emamectin benzoate | 138511-97-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: emamectin benzoate
• 英文别名: 4''-epi-(methylamino)-4''-deoxyavermectin B_1a benzoate；emamectin B1a benzoate；benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
• CAS: 138511-97-4
• 化学式: C₇H₆O₂*C₄₉H₇₅NO₁₃
• 分子量: 1008.26
• InChiKey: GCKZANITAMOIAR-PEZUHFCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.99
• 重原子数：
  72
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  199
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  emamectin benzoate 在 水 作用下， 生成 4''-deoxy-4''-epi-aminoavermectin B_1a 、 8a-oxo-MAB1a 、 8a-hydroxy-MAB1a 、 MAB1a-8,9-epoxide 、 MAB1a-10,11-14,15-diepoxide 、 8,9-Z-MAB1a
  参考文献：
  名称：

  Photodegradation of Emamectin Benzoate in Aqueous Solutions

  摘要：

  The half-life of [C-14]4 "-deoxy-4 "-(epi-methylamino)avermectin B-1a (MAB1a) benzoate (1 ppm) photodegradation in buffer (pH 7), natural pond water, and sensitized buffer (1% acetone in pH 7 buffer) determined at Three Bridges, NJ (latitude similar to 40 degrees N) during the fall season under natural sunlight was 22, 7, and 1 days, respectively. The half-life of [C-14]MAB1a benzoate (10-12 ppm) photodegradation in buffer (pH 7) containing 1% (v/v) acetonitrile, ethanol, or acetone as cosolvent under continuous exposure with a xenon lamp was 64.5, 8.5, or 0.5 days, respectively. The photoisomer 8,9-Z-MAB1a, 8a-hydroxy-MAB1a, and unknown polar residues were found in light-exposed samples of MAB1a in buffer and natural pond water. In light-exposed sensitized buffer samples, 8a-oxo-MAB1a and MAB1a-10,11-14,15-diepoxide were additional products. Very polar residues found in the organic and aqueous phases after extraction increased with time, and their formation followed the order sensitized buffer much greater than natural pond water > buffer.

  DOI：

  10.1021/jf970561i
• 作为产物：
  描述：

  苯甲酸 、 4''-methylaminoavermectin 反应 2.0h， 以74.1%的产率得到emamectin benzoate
  参考文献：
  名称：

  一种改善其可加工性的甲维盐的合成方法

  摘要：

  本发明公开了一种改善其可加工性的甲维盐的合成方法，是以阿维菌素B1a为起始原料，依次经过氧化、氨化、还原和成盐四步反应过程获得甲维盐。本发明采用的技术方案合成操作便捷，较比传统路线简化了工艺步骤，降低了生产成本，并且获得了收率在70％以上、纯度达到95％以上的甲维盐纯品。

  公开号：

  CN112920233A

文献信息

• 一种改善其可加工性的甲维盐的合成方法
  申请人：吴霜

  公开号：CN112920233A

  公开（公告）日：2021-06-08

  本发明公开了一种改善其可加工性的甲维盐的合成方法，是以阿维菌素B1a为起始原料，依次经过氧化、氨化、还原和成盐四步反应过程获得甲维盐。本发明采用的技术方案合成操作便捷，较比传统路线简化了工艺步骤，降低了生产成本，并且获得了收率在70％以上、纯度达到95％以上的甲维盐纯品。
• Photodegradation of Emamectin Benzoate in Aqueous Solutions
  作者：Mohammad Mushtaq、Amechi C. Chukwudebe、Christopher Wrzesinski、Loretta R. S. Allen、Debra Luffer-Atlas、Byron H. Arison

  DOI：10.1021/jf970561i

  日期：1998.3.1

  The half-life of [C-14]4 "-deoxy-4 "-(epi-methylamino)avermectin B-1a (MAB1a) benzoate (1 ppm) photodegradation in buffer (pH 7), natural pond water, and sensitized buffer (1% acetone in pH 7 buffer) determined at Three Bridges, NJ (latitude similar to 40 degrees N) during the fall season under natural sunlight was 22, 7, and 1 days, respectively. The half-life of [C-14]MAB1a benzoate (10-12 ppm) photodegradation in buffer (pH 7) containing 1% (v/v) acetonitrile, ethanol, or acetone as cosolvent under continuous exposure with a xenon lamp was 64.5, 8.5, or 0.5 days, respectively. The photoisomer 8,9-Z-MAB1a, 8a-hydroxy-MAB1a, and unknown polar residues were found in light-exposed samples of MAB1a in buffer and natural pond water. In light-exposed sensitized buffer samples, 8a-oxo-MAB1a and MAB1a-10,11-14,15-diepoxide were additional products. Very polar residues found in the organic and aqueous phases after extraction increased with time, and their formation followed the order sensitized buffer much greater than natural pond water > buffer.