7,8-bis-methoxycarbonylamino-dec-9-enoic acid methyl ester | 681849-06-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 7,8-bis-methoxycarbonylamino-dec-9-enoic acid methyl ester
• CAS: 681849-06-9
• 化学式: C₁₅H₂₆N₂O₆
• 分子量: 330.381
• InChiKey: SGUDMZJLDBJELS-PXYINDEMSA-N

物化性质

• 沸点：
  469.3±45.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  102.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7,8-bis-methoxycarbonylamino-dec-9-enoic acid methyl ester 在 盐酸 作用下， 以 水 为溶剂， 生成 、
  参考文献：
  名称：

  Inhibitors of biotin biosynthesis as potential herbicides

  摘要：

  Isosteric derivatives and analogues of the 7-keto-8-aminopelargonic acid (KAPA), 7,8-diaminopelargonic acid (DAPA) and desthiobiotin (DTB) vitamer intermediates involved in the biosynthetic pathway of biotin were prepared and evaluated as potential herbicides. The most active compound was desmethyl-KAPA which displayed a GR(50) (concentration of the active compound that causes a 50% growth inhibition) value of 8 ppm, where values <50 ppm are considered herbicidal. Other KAPA analogs where the terminal Me group was replaced by bulkier substituents such as Et, i-Pr and HOCH2 showed moderate activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.047
• 作为产物：
  描述：

  在 盐酸 、 sodium periodate 、 ammonium acetate 、 sodium cyanoborohydride 、 碳酸氢钠 、 三乙胺 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 水 为溶剂， 20.0~240.0 ℃ 、266.64 Pa 条件下， 反应 57.5h， 生成 7,8-bis-methoxycarbonylamino-dec-9-enoic acid methyl ester
  参考文献：
  名称：

  Inhibitors of biotin biosynthesis as potential herbicides

  摘要：

  Isosteric derivatives and analogues of the 7-keto-8-aminopelargonic acid (KAPA), 7,8-diaminopelargonic acid (DAPA) and desthiobiotin (DTB) vitamer intermediates involved in the biosynthetic pathway of biotin were prepared and evaluated as potential herbicides. The most active compound was desmethyl-KAPA which displayed a GR(50) (concentration of the active compound that causes a 50% growth inhibition) value of 8 ppm, where values <50 ppm are considered herbicidal. Other KAPA analogs where the terminal Me group was replaced by bulkier substituents such as Et, i-Pr and HOCH2 showed moderate activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.047